N-(furan-2-ylmethyl)-2-(8-methoxy-3,5-dimethyl-4-oxidanylidene-pyrimido[5,4-b]indol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(8-methoxy-3,5-dimethyl-4-oxidanylidene-pyrimido[5,4-b]indol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-furylmethyl)-2-(8-methoxy-3,5-dimethyl-4-oxo-pyrimido[5,4-b]indol-2-yl)sulfanyl-acetamide CAS Name: N-(2-furanylmethyl)-2-[(8-methoxy-3,5-dimethyl-4-oxo-2-pyrimido[5,4-b]indolyl)thio]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-(8-methoxy-3,5-dimethyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanylacetamide Traditional Name: N-(2-furfuryl)-2-[(4-keto-8-methoxy-3,5-dimethyl-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC(=O)NCC4=CC=CO4)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC(=O)NCC4=CC=CO4)C

InChI

InChI=1S/C20H20N4O4S/c1-23-15-7-6-12(27-3)9-14(15)17-18(23)19(26)24(2)20(22-17)29-11-16(25)21-10-13-5-4-8-28-13/h4-9H,10-11H2,1-3H3,(H,21,25)