1-chloranyl-11-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol

Systemtic Name: 1-chloranyl-11-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Openeye Name: 1-chloro-11-ethoxy-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol CAS Name: 1-chloro-11-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol IUPAC Name: 1-chloro-11-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Traditional Name: 1-chloro-11-ethoxy-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)O)S(=O)(=O)C(C)C)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)O)S(=O)(=O)C(C)C)C

InChI

InChI=1S/C18H21ClN4O4S/c1-5-27-14-7-11-6-12(24)8-13(28(25,26)10(2)3)16(11)23(4)18-15(22-14)17(19)20-9-21-18/h6,8-10,24H,5,7H2,1-4H3