1-chloranyl-5-methyl-11-methylsulfanyl-6-(phenylmethyl)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-5-methyl-11-methylsulfanyl-6-(phenylmethyl)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6-benzyl-1-chloro-8-isopropylsulfonyl-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-5-methyl-11-(methylthio)-6-(phenylmethyl)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6-benzyl-1-chloro-5-methyl-11-methylsulfanyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6-benzyl-1-chloro-8-isopropylsulfonyl-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C24H25ClN4O2S2 MolecularWeight: 501.0639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)SC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)SC)CC4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O2S2/c1-15(2)33(30,31)19-11-17(10-16-8-6-5-7-9-16)22-18(12-19)13-20(32-4)28-21-23(25)26-14-27-24(21)29(22)3/h5-9,11-12,14-15H,10,13H2,1-4H3