7H-purin-6-amine; (E)-3-thiophen-2-ylprop-2-enoic acid

Systemtic Name: 7H-purin-6-amine; (E)-3-thiophen-2-ylprop-2-enoic acid Openeye Name: 7H-purin-6-amine; (E)-3-(2-thienyl)prop-2-enoic acid CAS Name: 7H-purin-6-amine; (E)-3-thiophen-2-yl-2-propenoic acid IUPAC Name: 7H-purin-6-amine; (E)-3-thiophen-2-ylprop-2-enoic acid Traditional Name: 7H-adenine; (E)-3-(2-thienyl)acrylic acid Formula: C12H11N5O2S MolecularWeight: 289.31304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CC(=O)O.C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

C1=CSC(=C1)/C=C/C(=O)O.C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C7H6O2S.C5H5N5/c8-7(9)4-3-6-2-1-5-10-6;6-4-3-5(9-1-7-3)10-2-8-4/h1-5H,(H,8,9);1-2H,(H3,6,7,8,9,10)/b4-3+;