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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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