ethyl 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-2-[4-(4-methoxyphenyl)piperazino]-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H22N4O4/c1-3-26-17(24)15-12-19-18(20-16(15)23)22-10-8-21(9-11-22)13-4-6-14(25-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,23)