1-chloranyl-8-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-8-ethoxy-6-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-8-ethoxy-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-8-ethoxy-6-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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