1-[(2,4-dimethylphenyl)methyl]-3-phenylsulfanyl-5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-[(2,4-dimethylphenyl)methyl]-3-phenylsulfanyl-5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-[(2,4-dimethylphenyl)methyl]-3-phenylsulfanyl-5-(1-piperidylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-[(2,4-dimethylphenyl)methyl]-3-(phenylthio)-5-(1-piperidinylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-3-phenylsulfanyl-5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2,4-dimethylbenzyl)-3-(phenylthio)-5-(piperidinomethyl)barbituric acid Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=O)C(C(=O)N(C2=O)SC3=CC=CC=C3)CN4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=O)C(C(=O)N(C2=O)SC3=CC=CC=C3)CN4CCCCC4)C

InChI

InChI=1S/C25H29N3O3S/c1-18-11-12-20(19(2)15-18)16-27-23(29)22(17-26-13-7-4-8-14-26)24(30)28(25(27)31)32-21-9-5-3-6-10-21/h3,5-6,9-12,15,22H,4,7-8,13-14,16-17H2,1-2H3