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

Systemtic Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,5-dimethylphenyl)-6-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,5-dimethylphenyl)-2-keto-6-[(4-methylpiperazino)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CN3CCN(CC3)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H]2C(=C(NC(=O)N2)CN3CCN(CC3)C)C(=O)OC

InChI

InChI=1S/C20H28N4O3/c1-13-5-6-14(2)15(11-13)18-17(19(25)27-4)16(21-20(26)22-18)12-24-9-7-23(3)8-10-24/h5-6,11,18H,7-10,12H2,1-4H3,(H2,21,22,26)/t18-/m0/s1