(5S)-1-(3-methylphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5S)-1-(3-methylphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-(m-tolyl)-5-(2-piperazin-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-(3-methylphenyl)-5-[2-(1-piperazinyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-(3-methylphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-(m-tolyl)-5-(2-piperazinoethyliminomethyl)barbituric acid Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(C(=O)NC2=O)C=NCCN3CCNCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)[C@H](C(=O)NC2=O)C=NCCN3CCNCC3

InChI

InChI=1S/C18H23N5O3/c1-13-3-2-4-14(11-13)23-17(25)15(16(24)21-18(23)26)12-20-7-10-22-8-5-19-6-9-22/h2-4,11-12,15,19H,5-10H2,1H3,(H,21,24,26)/t15-/m0/s1