N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-cyano-N-cyclopentyl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-cyano-N-cyclopentyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-cyano-N-cyclopentyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-cyano-N-cyclopentylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyano-N-cyclopentylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-cyano-N-cyclopentyl-benzamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C3=CC=CC(=C3)C#N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C3=CC=CC(=C3)C#N)N

InChI

InChI=1S/C21H25N5O3/c1-2-3-11-25-18(23)17(19(27)24-21(25)29)26(16-9-4-5-10-16)20(28)15-8-6-7-14(12-15)13-22/h6-8,12,16H,2-5,9-11,23H2,1H3,(H,24,27,29)