1-[(4-azanylthieno[2,3-d]pyrimidin-6-yl)methyl]-3-oxidanylidene-piperazin-1-ium-1-carboxylic acid

Systemtic Name: 1-[(4-azanylthieno[2,3-d]pyrimidin-6-yl)methyl]-3-oxidanylidene-piperazin-1-ium-1-carboxylic acid Openeye Name: 1-[(4-aminothieno[2,3-d]pyrimidin-6-yl)methyl]-3-oxo-piperazin-1-ium-1-carboxylic acid CAS Name: 1-[(4-amino-6-thieno[2,3-d]pyrimidinyl)methyl]-3-oxo-1-piperazin-1-iumcarboxylic acid IUPAC Name: 1-[(4-aminothieno[2,3-d]pyrimidin-6-yl)methyl]-3-oxopiperazin-1-ium-1-carboxylic acid Traditional Name: 1-[(4-aminothieno[2,3-d]pyrimidin-6-yl)methyl]-3-keto-piperazin-1-ium-1-carboxylic acid Formula: C12H14N5O3S+ MolecularWeight: 308.33626

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC(=O)N1)(CC2=CC3=C(N=CN=C3S2)N)C(=O)O

Isomeric SMILES

C1C[N+](CC(=O)N1)(CC2=CC3=C(N=CN=C3S2)N)C(=O)O

InChI

InChI=1S/C12H13N5O3S/c13-10-8-3-7(21-11(8)16-6-15-10)4-17(12(19)20)2-1-14-9(18)5-17/h3,6H,1-2,4-5H2,(H3-,13,14,15,16,18,19,20)/p+1