1-chloranyl-8-methoxy-5-methyl-6-oxidanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-8-methoxy-5-methyl-6-oxidanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-6-hydroxy-8-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-6-hydroxy-8-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-6-hydroxy-8-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-6-hydroxy-8-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C14H13ClN4O3 MolecularWeight: 320.73102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)OC)O

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)OC)O

InChI

InChI=1S/C14H13ClN4O3/c1-19-12-7(3-8(22-2)5-9(12)20)4-10(21)18-11-13(15)16-6-17-14(11)19/h3,5-6,20H,4H2,1-2H3,(H,18,21)