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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)C(=O)NC1=CC2=C(C=C1)C=CN3C2=NC=C(C3=O)C(=O)O

Isomeric SMILES

CCC(C)C(C)C(=O)NC1=CC2=C(C=C1)C=CN3C2=NC=C(C3=O)C(=O)O

InChI

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