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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)SCC(=O)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C21H20N4O3S/c1-27-16-8-14-15(9-17(16)28-2)25-20-19(14)23-12-24-21(20)29-11-18(26)22-10-13-6-4-3-5-7-13/h3-9,12,25H,10-11H2,1-2H3,(H,22,26)