8-(1H-indol-3-yl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-(1H-indol-3-yl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-(1H-indol-3-yl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione CAS Name: 8-(1H-indol-3-yl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(1H-indol-3-yl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(1H-indol-3-yl)-1-propargyl-7H-xanthine Formula: C16H11N5O2 MolecularWeight: 305.29084

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CNC4=CC=CC=C43

Isomeric SMILES

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C16H11N5O2/c1-2-7-21-15(22)12-14(20-16(21)23)19-13(18-12)10-8-17-11-6-4-3-5-9(10)11/h1,3-6,8,17H,7H2,(H,18,19)(H,20,23)