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

Systemtic Name: 1-[3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(4,6-diamino-2-pyrimidinyl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(4,6-diaminopyrimidin-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C14H18N8O2S MolecularWeight: 362.41012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H18N8O2S/c1-20-7-17-11-10(20)12(23)22(14(24)21(11)2)4-3-5-25-13-18-8(15)6-9(16)19-13/h6-7H,3-5H2,1-2H3,(H4,15,16,18,19)