1,7-dimethyl-3-prop-1-ynyl-purine-2,6-dione

Systemtic Name: 1,7-dimethyl-3-prop-1-ynyl-purine-2,6-dione Openeye Name: 1,7-dimethyl-3-prop-1-ynyl-purine-2,6-dione CAS Name: 1,7-dimethyl-3-prop-1-ynylpurine-2,6-dione IUPAC Name: 1,7-dimethyl-3-prop-1-ynylpurine-2,6-dione Traditional Name: 1,7-dimethyl-3-prop-1-ynyl-xanthine Formula: C10H10N4O2 MolecularWeight: 218.212

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

Isomeric SMILES

CC#CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

InChI

InChI=1S/C10H10N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,1-3H3