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

Systemtic Name: 1-chloranyl-6-methoxy-5-methyl-8,11-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-8,11-bis(isopropylsulfonyl)-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6-methoxy-5-methyl-8,11-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-6-methoxy-5-methyl-8,11-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-8,11-bis(isopropylsulfonyl)-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C20H25ClN4O5S2 MolecularWeight: 501.0193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C(C)C)OC)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)S(=O)(=O)C(C)C)OC)C

InChI

InChI=1S/C20H25ClN4O5S2/c1-11(2)31(26,27)14-7-13-8-16(32(28,29)12(3)4)24-17-19(21)22-10-23-20(17)25(5)18(13)15(9-14)30-6/h7,9-12H,8H2,1-6H3