ethyl 2-(4-methylpiperazin-1-yl)-4-(4-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-methylpiperazin-1-yl)-4-(4-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-methylpiperazin-1-yl)-4-(4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-methyl-1-piperazinyl)-4-(4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylpiperazin-1-yl)-4-(4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-2-(4-methylpiperazino)-4-(4-nitrophenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5/c1-3-28-17(25)14-15(12-4-6-13(7-5-12)23(26)27)19-18(20-16(14)24)22-10-8-21(2)9-11-22/h4-7,14-15H,3,8-11H2,1-2H3,(H,19,20,24)