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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC=CC(=C2)C#N

InChI

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