8-bromanyl-11-(2,3-dimethylpentanoylamino)-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylic acid

Systemtic Name: 8-bromanyl-11-(2,3-dimethylpentanoylamino)-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylic acid Openeye Name: 8-bromo-11-(2,3-dimethylpentanoylamino)-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylic acid CAS Name: 8-bromo-11-[(2,3-dimethyl-1-oxopentyl)amino]-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylic acid IUPAC Name: 8-bromo-11-(2,3-dimethylpentanoylamino)-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylic acid Traditional Name: 8-bromo-11-(2,3-dimethylpentanoylamino)-4-keto-pyrimid[2,1-a]isoquinoline-3-carboxylic acid Formula: C20H20BrN3O4 MolecularWeight: 446.2945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)C(=O)NC1=C2C(=C(C=C1)Br)C=CN3C2=NC=C(C3=O)C(=O)O

Isomeric SMILES

CCC(C)C(C)C(=O)NC1=C2C(=C(C=C1)Br)C=CN3C2=NC=C(C3=O)C(=O)O

InChI

InChI=1S/C20H20BrN3O4/c1-4-10(2)11(3)18(25)23-15-6-5-14(21)12-7-8-24-17(16(12)15)22-9-13(19(24)26)20(27)28/h5-11H,4H2,1-3H3,(H,23,25)(H,27,28)