3-butyl-7-methyl-8-(pyrimidin-2-ylsulfanylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-(pyrimidin-2-ylsulfanylmethyl)purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-(pyrimidin-2-ylsulfanylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-[(2-pyrimidinylthio)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-(pyrimidin-2-ylsulfanylmethyl)purine-2,6-dione Traditional Name: 3-butyl-7-methyl-8-[(2-pyrimidylthio)methyl]xanthine Formula: C15H18N6O2S MolecularWeight: 346.40742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=CC=N3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=CC=N3)C

InChI

InChI=1S/C15H18N6O2S/c1-3-4-8-21-12-11(13(22)19-15(21)23)20(2)10(18-12)9-24-14-16-6-5-7-17-14/h5-7H,3-4,8-9H2,1-2H3,(H,19,22,23)