3,7-dimethyl-1-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propyl]xanthine Formula: C22H20N6O2S2 MolecularWeight: 464.5632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N6O2S2/c1-26-13-25-18-17(26)21(29)28(22(30)27(18)2)9-6-10-31-19-16-15(14-7-4-3-5-8-14)11-32-20(16)24-12-23-19/h3-5,7-8,11-13H,6,9-10H2,1-2H3