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

Systemtic Name: 2-(3-ethyl-8-methoxy-5-methyl-4-oxidanylidene-pyrimido[5,4-b]indol-2-yl)sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-(3-ethyl-8-methoxy-5-methyl-4-oxo-pyrimido[5,4-b]indol-2-yl)sulfanyl-N-(2-furylmethyl)acetamide CAS Name: 2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-2-pyrimido[5,4-b]indolyl)thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-(3-ethyl-8-methoxy-5-methyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(3-ethyl-4-keto-8-methoxy-5-methyl-pyrimid[5,4-b]indol-2-yl)thio]-N-(2-furfuryl)acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=C(N2C)C=CC(=C3)OC)N=C1SCC(=O)NCC4=CC=CO4

Isomeric SMILES

CCN1C(=O)C2=C(C3=C(N2C)C=CC(=C3)OC)N=C1SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H22N4O4S/c1-4-25-20(27)19-18(15-10-13(28-3)7-8-16(15)24(19)2)23-21(25)30-12-17(26)22-11-14-6-5-9-29-14/h5-10H,4,11-12H2,1-3H3,(H,22,26)