N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-methyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-methyl-ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-methylacetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylacetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-acetamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)N

InChI

InChI=1S/C22H27N5O4/c1-4-5-11-27-20(23)19(21(30)24-22(27)31)25(3)18(29)13-17-16-9-7-6-8-15(16)10-12-26(17)14(2)28/h6-10,12,17H,4-5,11,13,23H2,1-3H3,(H,24,30,31)