propan-2-yl 4-(methoxymethyl)-6-(2-methylsulfanylpyrimidin-4-yl)oxy-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: propan-2-yl 4-(methoxymethyl)-6-(2-methylsulfanylpyrimidin-4-yl)oxy-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: isopropyl 4-(methoxymethyl)-6-(2-methylsulfanylpyrimidin-4-yl)oxy-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 4-(methoxymethyl)-6-[[2-(methylthio)-4-pyrimidinyl]oxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(methoxymethyl)-6-(2-methylsulfanylpyrimidin-4-yl)oxy-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 4-(methoxymethyl)-6-[2-(methylthio)pyrimidin-4-yl]oxy-9H-$b-carboline-3-carboxylic acid isopropyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OC4=NC(=NC=C4)SC

Isomeric SMILES

CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OC4=NC(=NC=C4)SC

InChI

InChI=1S/C22H22N4O4S/c1-12(2)29-21(27)20-15(11-28-3)19-14-9-13(5-6-16(14)25-17(19)10-24-20)30-18-7-8-23-22(26-18)31-4/h5-10,12,25H,11H2,1-4H3