1-(phenylmethyl)-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(phenylmethyl)-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-benzyl-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(phenylmethyl)-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-benzyl-8-(1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-benzyl-8-(1H-pyrazol-4-yl)-7H-xanthine Formula: C15H12N6O2 MolecularWeight: 308.29478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(NC2=O)N=C(N3)C4=CNN=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(NC2=O)N=C(N3)C4=CNN=C4

InChI

InChI=1S/C15H12N6O2/c22-14-11-13(19-12(18-11)10-6-16-17-7-10)20-15(23)21(14)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)(H,18,19)(H,20,23)