3-[[3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[[3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]pentane-2,4-dione CAS Name: 3-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]pentane-2,4-dione IUPAC Name: 3-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]pentane-2,4-dione Traditional Name: 3-[[4-keto-3-(2-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]pentane-2,4-dione Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)NC4=CC=CC=C42

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)NC4=CC=CC=C42

InChI

InChI=1S/C22H19N3O4S/c1-12(26)20(13(2)27)30-22-24-18-14-8-4-5-9-15(14)23-19(18)21(28)25(22)16-10-6-7-11-17(16)29-3/h4-11,20,23H,1-3H3