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

Systemtic Name: ethyl 8-bromanyl-11-(2,3-dimethylpentanoylamino)-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 8-bromo-11-(2,3-dimethylpentanoylamino)-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylate CAS Name: 8-bromo-11-[(2,3-dimethyl-1-oxopentyl)amino]-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-11-(2,3-dimethylpentanoylamino)-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate Traditional Name: 8-bromo-11-(2,3-dimethylpentanoylamino)-4-keto-pyrimid[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C22H24BrN3O4 MolecularWeight: 474.34766

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O4/c1-5-12(3)13(4)20(27)25-17-8-7-16(23)14-9-10-26-19(18(14)17)24-11-15(21(26)28)22(29)30-6-2/h7-13H,5-6H2,1-4H3,(H,25,27)