(5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-5-[3-(1-imidazolyl)propyliminomethyl]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(2-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H19N5O3S MolecularWeight: 385.44016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(C(=O)NC2=S)C=NCCCN3C=CN=C3

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)[C@@H](C(=O)NC2=S)C=NCCCN3C=CN=C3

InChI

InChI=1S/C18H19N5O3S/c1-26-15-6-3-2-5-14(15)23-17(25)13(16(24)21-18(23)27)11-19-7-4-9-22-10-8-20-12-22/h2-3,5-6,8,10-13H,4,7,9H2,1H3,(H,21,24,27)/t13-/m1/s1