2-methylpropoxycarbonyl 4-[(2-azanyl-6-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate

Systemtic Name: 2-methylpropoxycarbonyl 4-[(2-azanyl-6-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate Openeye Name: isobutoxycarbonyl 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate CAS Name: 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]benzoic acid [2-methylpropoxy(oxo)methyl] ester IUPAC Name: 2-methylpropoxycarbonyl 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate Traditional Name: 4-[(2-amino-4-keto-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]benzoic acid isobutoxycarbonyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)OC(=O)OCC(C)C

Isomeric SMILES

CC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)OC(=O)OCC(C)C

InChI

InChI=1S/C19H20N4O5S/c1-9(2)8-27-19(26)28-17(25)11-4-6-12(7-5-11)29-14-10(3)21-15-13(14)16(24)23-18(20)22-15/h4-7,9H,8H2,1-3H3,(H4,20,21,22,23,24)