M1Q

5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione

Created:	2019-10-02
Last modified:	2020-03-04

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1 entries where M1Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	0

2D diagram of M1Q

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Chemical Component Summary
Name	5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione
Systematic Name (OpenEye OEToolkits)	5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione
Formula	C₈ H₁₀ N₂ O₂
Molecular Weight	166.177
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NC(=O)[CH]2CCCCC2=N1
SMILES	OpenEye OEToolkits	2.0.7	C1CCC2=NC(=O)NC(=O)C2C1
Canonical SMILES	CACTVS	3.385	O=C1NC(=O)[C@H]2CCCCC2=N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CCC2=NC(=O)NC(=O)C2C1
InChI	InChI	1.03	InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12)/t5-/m0/s1
InChIKey	InChI	1.03	SGSOSBGVUZKQTR-YFKPBYRVSA-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.