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

Systemtic Name: 10-(3,3-dimethylbutanoylamino)-7-methyl-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylic acid Openeye Name: 10-(3,3-dimethylbutanoylamino)-7-methyl-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylic acid CAS Name: 10-[(3,3-dimethyl-1-oxobutyl)amino]-7-methyl-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylic acid IUPAC Name: 10-(3,3-dimethylbutanoylamino)-7-methyl-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylic acid Traditional Name: 10-(3,3-dimethylbutanoylamino)-4-keto-7-methyl-pyrimid[2,1-a]isoquinoline-3-carboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC=C(C2=O)C(=O)O)C3=C1C=CC(=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=CN2C(=NC=C(C2=O)C(=O)O)C3=C1C=CC(=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C20H21N3O4/c1-11-10-23-17(21-9-15(18(23)25)19(26)27)14-7-12(5-6-13(11)14)22-16(24)8-20(2,3)4/h5-7,9-10H,8H2,1-4H3,(H,22,24)(H,26,27)