4VT

5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Created:	2015-06-08
Last modified:	2015-07-01

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1 entries where 4VT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	11

2D diagram of 4VT

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Chemical Component Summary
Name	5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	7-oxidanylidene-5-(phenylmethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula	C₁₄ H₁₀ N₄ O
Molecular Weight	250.255
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2C=C(Cc1ccccc1)Nc3n2ncc3C#N
SMILES	CACTVS	3.385	O=C1C=C(Cc2ccccc2)Nc3n1ncc3C#N
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2
Canonical SMILES	CACTVS	3.385	O=C1C=C(Cc2ccccc2)Nc3n1ncc3C#N
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2
InChI	InChI	1.03	InChI=1S/C14H10N4O/c15-8-11-9-16-18-13(19)7-12(17-14(11)18)6-10-4-2-1-3-5-10/h1-5,7,9,17H,6H2
InChIKey	InChI	1.03	RAGSEECOXCGMEQ-UHFFFAOYSA-N

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