ethyl 10-(3,3-dimethylbutanoylamino)-7-methyl-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 10-(3,3-dimethylbutanoylamino)-7-methyl-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 10-(3,3-dimethylbutanoylamino)-7-methyl-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylate CAS Name: 10-[(3,3-dimethyl-1-oxobutyl)amino]-7-methyl-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 10-(3,3-dimethylbutanoylamino)-7-methyl-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate Traditional Name: 10-(3,3-dimethylbutanoylamino)-4-keto-7-methyl-pyrimid[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C3=C(C=CC(=C3)NC(=O)CC(C)(C)C)C(=CN2C1=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C3=C(C=CC(=C3)NC(=O)CC(C)(C)C)C(=CN2C1=O)C

InChI

InChI=1S/C22H25N3O4/c1-6-29-21(28)17-11-23-19-16-9-14(24-18(26)10-22(3,4)5)7-8-15(16)13(2)12-25(19)20(17)27/h7-9,11-12H,6,10H2,1-5H3,(H,24,26)