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

Systemtic Name: methyl 5-azanyl-7-methyl-2-methylsulfanyl-4-(1-methylsulfonylindol-2-yl)pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-amino-7-methyl-2-methylsulfanyl-4-(1-methylsulfonylindol-2-yl)pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-7-methyl-4-(1-methylsulfonyl-2-indolyl)-2-(methylthio)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-7-methyl-2-methylsulfanyl-4-(1-methylsulfonylindol-2-yl)pyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(1-mesylindol-2-yl)-7-methyl-2-(methylthio)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(N=C(N=C21)SC)C3=CC4=CC=CC=C4N3S(=O)(=O)C)N)C(=O)OC

Isomeric SMILES

CN1C(=C(C2=C(N=C(N=C21)SC)C3=CC4=CC=CC=C4N3S(=O)(=O)C)N)C(=O)OC

InChI

InChI=1S/C19H19N5O4S2/c1-23-16(18(25)28-2)14(20)13-15(21-19(29-3)22-17(13)23)12-9-10-7-5-6-8-11(10)24(12)30(4,26)27/h5-9H,20H2,1-4H3