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

Systemtic Name: 5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-propan-2-yloxypropyl)pentanamide Openeye Name: N-(3-isopropoxypropyl)-5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide CAS Name: 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-propan-2-yloxypropyl)pentanamide IUPAC Name: 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-propan-2-yloxypropyl)pentanamide Traditional Name: N-(3-isopropoxypropyl)-5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)valeramide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4S/c1-14(2)30-12-6-10-23-18(27)7-4-5-11-26-21(28)20-19(25-22(26)31)16-13-15(29-3)8-9-17(16)24-20/h8-9,13-14,24H,4-7,10-12H2,1-3H3,(H,23,27)(H,25,31)