ethyl (4S)-4-methyl-2-oxidanylidene-6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-methyl-2-oxidanylidene-6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-methyl-2-oxo-6-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-2-oxo-6-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-2-oxo-6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-methyl-6-[[4-(2-pyridylmethyl)piperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CN2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CN2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C19H27N5O3/c1-3-27-18(25)17-14(2)21-19(26)22-16(17)13-24-10-8-23(9-11-24)12-15-6-4-5-7-20-15/h4-7,14H,3,8-13H2,1-2H3,(H2,21,22,26)/t14-/m0/s1