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

Systemtic Name: 3-(oxolan-3-yl)-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-tetrahydrofuran-3-yl-7H-purine-2,6-dione CAS Name: 3-(3-oxolanyl)-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-(oxolan-3-yl)-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-tetrahydrofuran-3-yl-7H-purine-2,6-quinone Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1N2C3=C(C(=O)NC2=O)NC(=N3)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

C1COCC1N2C3=C(C(=O)NC2=O)NC(=N3)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C19H18N6O3/c26-18-15-17(25(19(27)23-18)14-6-7-28-11-14)22-16(21-15)13-8-20-24(10-13)9-12-4-2-1-3-5-12/h1-5,8,10,14H,6-7,9,11H2,(H,21,22)(H,23,26,27)