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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-cyano-N-cyclopentyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-cyano-N-cyclopentyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-cyano-N-cyclopentylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-cyano-N-cyclopentylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-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=C(C=C3)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-2-3-12-25-18(23)17(19(27)24-21(25)29)26(16-6-4-5-7-16)20(28)15-10-8-14(13-22)9-11-15/h8-11,16H,2-7,12,23H2,1H3,(H,24,27,29)