methyl 4-(furan-2-yl)-6-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(furan-2-yl)-6-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(2-furyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-furanyl)-6-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(furan-2-yl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-furyl)-6-keto-2-[4-(2-pyrimidyl)piperazino]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CO4

Isomeric SMILES

COC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CO4

InChI

InChI=1S/C18H20N6O4/c1-27-16(26)13-14(12-4-2-11-28-12)21-18(22-15(13)25)24-9-7-23(8-10-24)17-19-5-3-6-20-17/h2-6,11,13-14H,7-10H2,1H3,(H,21,22,25)