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

Systemtic Name: 6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-piperidin-1-ylpropyl)hexanamide Openeye Name: 6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[3-(1-piperidyl)propyl]hexanamide CAS Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[3-(1-piperidinyl)propyl]hexanamide IUPAC Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-piperidin-1-ylpropyl)hexanamide Traditional Name: 6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-(3-piperidinopropyl)hexanamide Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)NCCCN4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)NCCCN4CCCCC4

InChI

InChI=1S/C25H35N5O3S/c1-33-18-10-11-20-19(17-18)22-23(27-20)24(32)30(25(34)28-22)16-7-2-4-9-21(31)26-12-8-15-29-13-5-3-6-14-29/h10-11,17,27H,2-9,12-16H2,1H3,(H,26,31)(H,28,34)