methyl 2-[(2-cyclopropyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate

Systemtic Name: methyl 2-[(2-cyclopropyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Openeye Name: methyl 2-[(2-cyclopropyl-4-oxo-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate CAS Name: 2-[(2-cyclopropyl-4-oxo-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-cyclopropyl-4-oxo-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Traditional Name: 2-[(2-cyclopropyl-4-keto-1H-pyrimidin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CN(CCC2=CC=C1)CC3=CC(=O)N=C(N3)C4CC4

Isomeric SMILES

COC(=O)C1=C2CN(CCC2=CC=C1)CC3=CC(=O)N=C(N3)C4CC4

InChI

InChI=1S/C19H21N3O3/c1-25-19(24)15-4-2-3-12-7-8-22(11-16(12)15)10-14-9-17(23)21-18(20-14)13-5-6-13/h2-4,9,13H,5-8,10-11H2,1H3,(H,20,21,23)