1,3-dimethyl-7-[(E)-2-methylpent-2-enyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(E)-2-methylpent-2-enyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(E)-2-methylpent-2-enyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(E)-2-methylpent-2-enyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(E)-2-methylpent-2-enyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(E)-2-methylpent-2-enyl]xanthine Formula: C13H18N4O2 MolecularWeight: 262.30762

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC/C=C(\C)/CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H18N4O2/c1-5-6-9(2)7-17-8-14-11-10(17)12(18)16(4)13(19)15(11)3/h6,8H,5,7H2,1-4H3/b9-6+