2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thio]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)thio]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C22H22N4O4S/c1-12-5-6-16(28-2)15(7-12)25-19(27)10-31-22-21-20(23-11-24-22)13-8-17(29-3)18(30-4)9-14(13)26-21/h5-9,11,26H,10H2,1-4H3,(H,25,27)