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

Systemtic Name: N-(2,2-dimethoxyethyl)-6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide Openeye Name: N-(2,2-dimethoxyethyl)-6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide CAS Name: N-(2,2-dimethoxyethyl)-6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide IUPAC Name: N-(2,2-dimethoxyethyl)-6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide Traditional Name: N-(2,2-dimethoxyethyl)-6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)hexanamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)NCC(OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)NCC(OC)OC

InChI

InChI=1S/C21H28N4O5S/c1-28-13-8-9-15-14(11-13)18-19(23-15)20(27)25(21(31)24-18)10-6-4-5-7-16(26)22-12-17(29-2)30-3/h8-9,11,17,23H,4-7,10,12H2,1-3H3,(H,22,26)(H,24,31)