tert-butyl 5-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate

Systemtic Name: tert-butyl 5-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate Openeye Name: tert-butyl 5-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate CAS Name: 5-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-2-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-[(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylic acid tert-butyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(S1)CC2=CNC3=C2C(=O)N=C(N3)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(S1)CC2=CNC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C16H18N4O3S/c1-16(2,3)23-14(22)10-5-4-9(24-10)6-8-7-18-12-11(8)13(21)20-15(17)19-12/h4-5,7H,6H2,1-3H3,(H4,17,18,19,20,21)