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

Systemtic Name: 1-chloranyl-6-ethoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Openeye Name: 1-chloro-6-ethoxy-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol CAS Name: 1-chloro-6-ethoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol IUPAC Name: 1-chloro-6-ethoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Traditional Name: 1-chloro-6-ethoxy-11-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=C2C(=CC(=C1)O)CC(=NC3=C(N2C)N=CN=C3Cl)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

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