N-(2-acetamidoethyl)-6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide

Systemtic Name: N-(2-acetamidoethyl)-6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide Openeye Name: N-(2-acetamidoethyl)-6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide CAS Name: N-(2-acetamidoethyl)-6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide IUPAC Name: N-(2-acetamidoethyl)-6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide Traditional Name: N-(2-acetamidoethyl)-6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)hexanamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)CCCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

Isomeric SMILES

CC(=O)NCCNC(=O)CCCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

InChI

InChI=1S/C21H27N5O4S/c1-13(27)22-9-10-23-17(28)6-4-3-5-11-26-20(29)19-18(25-21(26)31)15-12-14(30-2)7-8-16(15)24-19/h7-8,12,24H,3-6,9-11H2,1-2H3,(H,22,27)(H,23,28)(H,25,31)