3,7-dimethyl-1-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[2-(3-thienyl)pyrrolidin-1-yl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[2-(3-thiophenyl)-1-pyrrolidinyl]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[2-(3-thienyl)pyrrolidino]propyl]xanthine Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCCC3C4=CSC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCCC3C4=CSC=C4

InChI

InChI=1S/C18H23N5O2S/c1-20-12-19-16-15(20)17(24)23(18(25)21(16)2)9-4-8-22-7-3-5-14(22)13-6-10-26-11-13/h6,10-12,14H,3-5,7-9H2,1-2H3