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

Systemtic Name: 3-(3-oxidanylpropyl)-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-(3-hydroxypropyl)-7H-purine-2,6-dione CAS Name: 3-(3-hydroxypropyl)-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-(3-hydroxypropyl)-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-(3-hydroxypropyl)-7H-purine-2,6-quinone Formula: C18H18N6O3 MolecularWeight: 366.37392

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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)N4CCCO

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C3=NC4=C(N3)C(=O)NC(=O)N4CCCO

InChI

InChI=1S/C18H18N6O3/c25-8-4-7-24-16-14(17(26)22-18(24)27)20-15(21-16)13-9-19-23(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,9,11,25H,4,7-8,10H2,(H,20,21)(H,22,26,27)