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

Systemtic Name: ethyl (4R)-6-[(4-ethylpiperazin-1-yl)methyl]-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(4-ethylpiperazin-1-yl)methyl]-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[(4-ethyl-1-piperazinyl)methyl]-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[(4-ethylpiperazin-1-yl)methyl]-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[(4-ethylpiperazino)methyl]-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=CC=C3C)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=C([C@H](NC(=O)N2)C3=CC=CC=C3C)C(=O)OCC

InChI

InChI=1S/C21H30N4O3/c1-4-24-10-12-25(13-11-24)14-17-18(20(26)28-5-2)19(23-21(27)22-17)16-9-7-6-8-15(16)3/h6-9,19H,4-5,10-14H2,1-3H3,(H2,22,23,27)/t19-/m1/s1