4-azanyl-5-butylsulfanyl-2-methyl-thieno[3,4-d]pyrimidine-7-carboxylic acid

Systemtic Name: 4-azanyl-5-butylsulfanyl-2-methyl-thieno[3,4-d]pyrimidine-7-carboxylic acid Openeye Name: 4-amino-5-butylsulfanyl-2-methyl-thieno[3,4-d]pyrimidine-7-carboxylic acid CAS Name: 4-amino-5-(butylthio)-2-methyl-7-thieno[3,4-d]pyrimidinecarboxylic acid IUPAC Name: 4-amino-5-butylsulfanyl-2-methylthieno[3,4-d]pyrimidine-7-carboxylic acid Traditional Name: 4-amino-5-(butylthio)-2-methyl-thieno[3,4-d]pyrimidine-7-carboxylic acid Formula: C12H15N3O2S2 MolecularWeight: 297.3964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C2C(=C(S1)C(=O)O)N=C(N=C2N)C

Isomeric SMILES

CCCCSC1=C2C(=C(S1)C(=O)O)N=C(N=C2N)C

InChI

InChI=1S/C12H15N3O2S2/c1-3-4-5-18-12-7-8(9(19-12)11(16)17)14-6(2)15-10(7)13/h3-5H2,1-2H3,(H,16,17)(H2,13,14,15)