1,3-dimethyl-7-propyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-propyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-propyl-8-(3-pyridylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-propyl-8-(3-pyridinylmethylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-propyl-8-(pyridin-3-ylmethylsulfanyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-propyl-8-(3-pyridylmethylthio)xanthine Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC3=CN=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC3=CN=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H19N5O2S/c1-4-8-21-12-13(19(2)16(23)20(3)14(12)22)18-15(21)24-10-11-6-5-7-17-9-11/h5-7,9H,4,8,10H2,1-3H3