ethyl 3-(3-azanyl-1H-isoindol-2-ium-2-yl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-(3-azanyl-1H-isoindol-2-ium-2-yl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(3-amino-1H-isoindol-2-ium-2-yl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(3-amino-1H-isoindol-2-ium-2-yl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-amino-1H-isoindol-2-ium-2-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-amino-1H-isoindol-2-ium-2-yl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17N4O3S+ MolecularWeight: 369.41758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)[N+]3=C(C4=CC=CC=C4C3)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)[N+]3=C(C4=CC=CC=C4C3)N)C

InChI

InChI=1S/C18H16N4O3S/c1-3-25-18(24)14-10(2)13-16(26-14)20-9-22(17(13)23)21-8-11-6-4-5-7-12(11)15(21)19/h4-7,9,19H,3,8H2,1-2H3/p+1