1,3-dimethyl-6-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]pyrimidine-2,4-quinone Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)N(C(=O)N3C)C)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)N(C(=O)N3C)C)N4CCCCC4

InChI

InChI=1S/C21H26N6O2S/c1-15-7-9-16(10-8-15)27-19(26-11-5-4-6-12-26)22-23-20(27)30-14-17-13-18(28)25(3)21(29)24(17)2/h7-10,13H,4-6,11-12,14H2,1-3H3