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

Systemtic Name: 3-(3-oxidanylcyclopentyl)-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-(3-hydroxycyclopentyl)-7H-purine-2,6-dione CAS Name: 3-(3-hydroxycyclopentyl)-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-(3-hydroxycyclopentyl)-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-(3-hydroxycyclopentyl)-7H-purine-2,6-quinone Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1N2C3=C(C(=O)NC2=O)NC(=N3)C4=CN(N=C4)CC5=CC=CC=C5)O

Isomeric SMILES

C1CC(CC1N2C3=C(C(=O)NC2=O)NC(=N3)C4=CN(N=C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C20H20N6O3/c27-15-7-6-14(8-15)26-18-16(19(28)24-20(26)29)22-17(23-18)13-9-21-25(11-13)10-12-4-2-1-3-5-12/h1-5,9,11,14-15,27H,6-8,10H2,(H,22,23)(H,24,28,29)