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

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 10-(2,2-dimethylpropanoylamino)-7-methyl-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylate Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 10-(2,2-dimethylpropanoylamino)-7-methyl-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylate CAS Name: 10-[(2,2-dimethyl-1-oxopropyl)amino]-7-methyl-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 10-(2,2-dimethylpropanoylamino)-7-methyl-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate Traditional Name: 4-keto-7-methyl-10-(pivaloylamino)pyrimid[2,1-a]isoquinoline-3-carboxylic acid 2-nicotinamidoethyl ester Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC=C(C2=O)C(=O)OCCNC(=O)C3=CN=CC=C3)C4=C1C=CC(=C4)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=CN2C(=NC=C(C2=O)C(=O)OCCNC(=O)C3=CN=CC=C3)C4=C1C=CC(=C4)NC(=O)C(C)(C)C

InChI

InChI=1S/C27H27N5O5/c1-16-15-32-22(20-12-18(7-8-19(16)20)31-26(36)27(2,3)4)30-14-21(24(32)34)25(35)37-11-10-29-23(33)17-6-5-9-28-13-17/h5-9,12-15H,10-11H2,1-4H3,(H,29,33)(H,31,36)