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

Systemtic Name: 8-methoxy-3-[4-(2-methylpiperidin-1-yl)-4-oxidanylidene-butyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[4-(2-methyl-1-piperidyl)-4-oxo-butyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[4-(2-methyl-1-piperidinyl)-4-oxobutyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[4-keto-4-(2-methylpiperidino)butyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CC1CCCCN1C(=O)CCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C21H26N4O3S/c1-13-6-3-4-10-24(13)17(26)7-5-11-25-20(27)19-18(23-21(25)29)15-12-14(28-2)8-9-16(15)22-19/h8-9,12-13,22H,3-7,10-11H2,1-2H3,(H,23,29)