1-chloranyl-5-methyl-8-methylsulfanyl-6-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-5-methyl-8-methylsulfanyl-6-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 6-benzyl-1-chloro-5-methyl-8-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-5-methyl-8-(methylthio)-6-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 6-benzyl-1-chloro-5-methyl-8-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 6-benzyl-1-chloro-5-methyl-8-(methylthio)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C21H19ClN4OS MolecularWeight: 410.91976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)SC)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)SC)CC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4OS/c1-26-19-14(8-13-6-4-3-5-7-13)9-16(28-2)10-15(19)11-17(27)25-18-20(22)23-12-24-21(18)26/h3-7,9-10,12H,8,11H2,1-2H3,(H,25,27)