1-phenyl-3-prop-2-ynyl-7H-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C(=O)N(C1=O)C3=CC=CC=C3)NC=N2

Isomeric SMILES

C#CCN1C2=C(C(=O)N(C1=O)C3=CC=CC=C3)NC=N2

InChI

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