2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)thio]-N-(m-tolyl)acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-12-5-4-6-13(7-12)24-18(26)10-29-21-20-19(22-11-23-21)14-8-16(27-2)17(28-3)9-15(14)25-20/h4-9,11,25H,10H2,1-3H3,(H,24,26)