3-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-methoxyethyl)-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CCOC)NC4=CC=CC=C43

InChI

InChI=1S/C21H26N4O3S/c1-14-7-9-24(10-8-14)17(26)13-29-21-23-18-15-5-3-4-6-16(15)22-19(18)20(27)25(21)11-12-28-2/h3-6,14,22H,7-13H2,1-2H3