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

Systemtic Name: N-butyl-5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide Openeye Name: N-butyl-5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide CAS Name: N-butyl-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide IUPAC Name: N-butyl-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide Traditional Name: N-butyl-5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)valeramide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-3-4-10-21-16(25)7-5-6-11-24-19(26)18-17(23-20(24)28)14-12-13(27-2)8-9-15(14)22-18/h8-9,12,22H,3-7,10-11H2,1-2H3,(H,21,25)(H,23,28)