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

Systemtic Name: 6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-propan-2-yl-hexanamide Openeye Name: N-isopropyl-6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide CAS Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-propan-2-ylhexanamide IUPAC Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-propan-2-ylhexanamide Traditional Name: N-isopropyl-6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)hexanamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CCCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

Isomeric SMILES

CC(C)NC(=O)CCCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

InChI

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