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

Systemtic Name: 5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(pyridin-3-ylmethyl)pentanamide Openeye Name: 5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-pyridylmethyl)pentanamide CAS Name: 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-pyridinylmethyl)pentanamide IUPAC Name: 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(pyridin-3-ylmethyl)pentanamide Traditional Name: 5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-(3-pyridylmethyl)valeramide Formula: C22H23N5O3S MolecularWeight: 437.51472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3S/c1-30-15-7-8-17-16(11-15)19-20(25-17)21(29)27(22(31)26-19)10-3-2-6-18(28)24-13-14-5-4-9-23-12-14/h4-5,7-9,11-12,25H,2-3,6,10,13H2,1H3,(H,24,28)(H,26,31)