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

Systemtic Name: 6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(pyridin-3-ylmethyl)hexanamide Openeye Name: 6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-pyridylmethyl)hexanamide CAS Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-pyridinylmethyl)hexanamide IUPAC Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(pyridin-3-ylmethyl)hexanamide Traditional Name: 6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-(3-pyridylmethyl)hexanamide Formula: C23H25N5O3S MolecularWeight: 451.5413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H25N5O3S/c1-31-16-8-9-18-17(12-16)20-21(26-18)22(30)28(23(32)27-20)11-4-2-3-7-19(29)25-14-15-6-5-10-24-13-15/h5-6,8-10,12-13,26H,2-4,7,11,14H2,1H3,(H,25,29)(H,27,32)