methyl 5-azanyl-4-(1H-indol-2-yl)-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-azanyl-4-(1H-indol-2-yl)-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-amino-4-(1H-indol-2-yl)-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(1H-indol-2-yl)-7-methyl-2-(methylthio)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-4-(1H-indol-2-yl)-7-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(1H-indol-2-yl)-7-methyl-2-(methylthio)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(N=C(N=C21)SC)C3=CC4=CC=CC=C4N3)N)C(=O)OC

Isomeric SMILES

CN1C(=C(C2=C(N=C(N=C21)SC)C3=CC4=CC=CC=C4N3)N)C(=O)OC

InChI

InChI=1S/C18H17N5O2S/c1-23-15(17(24)25-2)13(19)12-14(21-18(26-3)22-16(12)23)11-8-9-6-4-5-7-10(9)20-11/h4-8,20H,19H2,1-3H3