1-[3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C18H20N6O2S2 MolecularWeight: 416.5204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C18H20N6O2S2/c1-4-11-8-12-15(19-9-20-16(12)28-11)27-7-5-6-24-17(25)13-14(21-10-22(13)2)23(3)18(24)26/h8-10H,4-7H2,1-3H3