1-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C19H26N8O2S MolecularWeight: 430.52714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(N3C4CC4)N5CCCC5

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C19H26N8O2S/c1-23-12-20-15-14(23)16(28)26(19(29)24(15)2)10-5-11-30-18-22-21-17(25-8-3-4-9-25)27(18)13-6-7-13/h12-13H,3-11H2,1-2H3