(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H17N3O6/c1-2-26-16(23)12-8-19-18(25)21-14(12)9-27-17(24)13-7-10-5-3-4-6-11(10)15(22)20-13/h3-7H,2,8-9H2,1H3,(H,20,22)(H2,19,21,25)