8-[(E)-2-phenylethenyl]-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[(E)-2-phenylethenyl]-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-prop-2-ynyl-8-[(E)-styryl]-3,7-dihydropurine-2,6-dione CAS Name: 8-[(E)-2-phenylethenyl]-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[(E)-2-phenylethenyl]-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-propargyl-8-[(E)-styryl]-7H-xanthine Formula: C16H12N4O2 MolecularWeight: 292.29208

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O2/c1-2-10-20-15(21)13-14(19-16(20)22)18-12(17-13)9-8-11-6-4-3-5-7-11/h1,3-9H,10H2,(H,17,18)(H,19,22)/b9-8+