8-phenyl-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-phenyl-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-phenyl-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione CAS Name: 8-phenyl-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-phenyl-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-phenyl-1-propargyl-7H-xanthine Formula: C14H10N4O2 MolecularWeight: 266.2548

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C14H10N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,15,16)(H,17,20)