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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-cyano-N-(2-methylpropyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-cyano-N-isobutyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-cyano-N-(2-methylpropyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyano-N-(2-methylpropyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-cyano-N-isobutyl-benzamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-4-5-9-24-17(22)16(18(26)23-20(24)28)25(12-13(2)3)19(27)15-8-6-7-14(10-15)11-21/h6-8,10,13H,4-5,9,12,22H2,1-3H3,(H,23,26,28)