CMU

5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL

Created:	2003-09-23
Last modified:	2021-03-13

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2 entries where CMU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	0

2D diagram of CMU

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Chemical Component Summary
Name	5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL
Synonyms	5-CHLORO-6-[(2-IMINOPYRROLIDIN-1-YL)METHYL]PYRIMIDINE-2,4(1H,3H)-DIONE
Systematic Name (OpenEye OEToolkits)	5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
Formula	C₉ H₁₁ Cl N₄ O₂
Molecular Weight	242.662
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	ClC1=C(NC(=O)NC1=O)CN2C(=[N@H])CCC2
SMILES	CACTVS	3.341	ClC1=C(CN2CCCC2=N)NC(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C1CCCN1CC2=C(C(=O)NC(=O)N2)Cl
Canonical SMILES	CACTVS	3.341	ClC1=C(CN2CCCC2=N)NC(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C\1/CCCN1CC2=C(C(=O)NC(=O)N2)Cl
InChI	InChI	1.03	InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)/b11-6-
InChIKey	InChI	1.03	QQHMKNYGKVVGCZ-WDZFZDKYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.