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

Systemtic Name: (5S)-1-(4-ethoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-(4-ethoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-(4-ethoxyphenyl)-5-[2-(1-piperazinyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-(4-ethoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-5-(2-piperazinoethyliminomethyl)-1-p-phenetyl-barbituric acid Formula: C19H25N5O4 MolecularWeight: 387.4329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)C=NCCN3CCNCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@H](C(=O)NC2=O)C=NCCN3CCNCC3

InChI

InChI=1S/C19H25N5O4/c1-2-28-15-5-3-14(4-6-15)24-18(26)16(17(25)22-19(24)27)13-21-9-12-23-10-7-20-8-11-23/h3-6,13,16,20H,2,7-12H2,1H3,(H,22,25,27)/t16-/m0/s1