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

Systemtic Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)thio]-N-(3-methoxyphenyl)acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C21H20N4O4S/c1-27-13-6-4-5-12(7-13)24-18(26)10-30-21-20-19(22-11-23-21)14-8-16(28-2)17(29-3)9-15(14)25-20/h4-9,11,25H,10H2,1-3H3,(H,24,26)