ethyl (4R)-4-(1,3-benzodioxol-5-yl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(1,3-benzodioxol-5-yl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(1,3-benzodioxol-5-yl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(1,3-benzodioxol-5-yl)-6-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(1,3-benzodioxol-5-yl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(1,3-benzodioxol-5-yl)-2-keto-6-[(4-methylpiperazino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC3=C(C=C2)OCO3)CN4CCN(CC4)C

InChI

InChI=1S/C20H26N4O5/c1-3-27-19(25)17-14(11-24-8-6-23(2)7-9-24)21-20(26)22-18(17)13-4-5-15-16(10-13)29-12-28-15/h4-5,10,18H,3,6-9,11-12H2,1-2H3,(H2,21,22,26)/t18-/m1/s1