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

Systemtic Name: 8-[1-(phenylmethyl)pyrazol-4-yl]-3-piperidin-4-yl-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-(4-piperidyl)-7H-purine-2,6-dione CAS Name: 8-[1-(phenylmethyl)-4-pyrazolyl]-3-(4-piperidinyl)-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-piperidin-4-yl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-(4-piperidyl)-7H-purine-2,6-quinone Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C3=C(C(=O)NC2=O)NC(=N3)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCC1N2C3=C(C(=O)NC2=O)NC(=N3)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C20H21N7O2/c28-19-16-18(27(20(29)25-19)15-6-8-21-9-7-15)24-17(23-16)14-10-22-26(12-14)11-13-4-2-1-3-5-13/h1-5,10,12,15,21H,6-9,11H2,(H,23,24)(H,25,28,29)