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

Systemtic Name: 1-chloranyl-6,8-diethoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-6,8-diethoxy-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6,8-diethoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-6,8-diethoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-6,8-diethoxy-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C(C)C)OCC

Isomeric SMILES

CCOC1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C(C)C)OCC

InChI

InChI=1S/C20H25ClN4O4S/c1-6-28-14-8-13-9-16(30(26,27)12(3)4)24-17-19(21)22-11-23-20(17)25(5)18(13)15(10-14)29-7-2/h8,10-12H,6-7,9H2,1-5H3