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

Systemtic Name: 8-[1-(phenylmethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3,7-dihydropurine-2,6-dione CAS Name: 8-[1-(phenylmethyl)-4-pyrazolyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3,7-dihydropurine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-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=C(C=N2)C3=NC4=C(N3)C(=O)NC(=O)N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)NC(=O)N4

InChI

InChI=1S/C15H12N6O2/c22-14-11-13(19-15(23)20-14)18-12(17-11)10-6-16-21(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H3,17,18,19,20,22,23)