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

Systemtic Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-(3-methoxyphenyl)-5-[2-(1-piperazinyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperazinoethyliminomethyl)barbituric acid Formula: C18H23N5O4 MolecularWeight: 373.40632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(C(=O)NC2=O)C=NCCN3CCNCC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)[C@H](C(=O)NC2=O)C=NCCN3CCNCC3

InChI

InChI=1S/C18H23N5O4/c1-27-14-4-2-3-13(11-14)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