1-chloranyl-5-methyl-11-methylsulfanyl-6,8-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-5-methyl-11-methylsulfanyl-6,8-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6,8-dibenzyl-1-chloro-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-5-methyl-11-(methylthio)-6,8-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6,8-dibenzyl-1-chloro-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6,8-dibenzyl-1-chloro-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C28H25ClN4S MolecularWeight: 485.0429

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)SC)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)SC)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H25ClN4S/c1-33-26-22(14-20-11-7-4-8-12-20)15-21(13-19-9-5-3-6-10-19)16-23(26)17-24(34-2)32-25-27(29)30-18-31-28(25)33/h3-12,15-16,18H,13-14,17H2,1-2H3