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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-cyano-N-(3-methylbutyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-cyano-N-isopentyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-cyano-N-(3-methylbutyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyano-N-(3-methylbutyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-cyano-N-isoamyl-benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC=CC(=C2)C#N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC=CC(=C2)C#N)N

InChI

InChI=1S/C21H27N5O3/c1-4-5-10-26-18(23)17(19(27)24-21(26)29)25(11-9-14(2)3)20(28)16-8-6-7-15(12-16)13-22/h6-8,12,14H,4-5,9-11,23H2,1-3H3,(H,24,27,29)