4-azanyl-5-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-azanyl-5-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-amino-2-[(E)-cinnamyl]sulfanyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[(E)-3-phenylprop-2-enyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-amino-5-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[(E)-cinnamyl]thio]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H14N3O2S2- MolecularWeight: 356.44196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCC=CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SC/C=C/C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H15N3O2S2/c1-10-12-14(18)19-17(20-15(12)24-13(10)16(21)22)23-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3,(H,21,22)(H2,18,19,20)/p-1/b8-5+