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

Systemtic Name: N-(2-diethylaminoethyl)-5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide Openeye Name: N-(2-diethylaminoethyl)-5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide CAS Name: N-(2-diethylaminoethyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide IUPAC Name: N-(2-diethylaminoethyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide Traditional Name: N-(2-diethylaminoethyl)-5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)valeramide Formula: C22H31N5O3S MolecularWeight: 445.57824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)CCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

Isomeric SMILES

CCN(CC)CCNC(=O)CCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

InChI

InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)