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

Systemtic Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1-(cyclopropylmethyl)-3-ethyl-7H-purine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-3-ethyl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1-(cyclopropylmethyl)-3-ethyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1-(cyclopropylmethyl)-3-ethyl-7H-purine-2,6-quinone Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC3CC3)NC(=N2)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC3CC3)NC(=N2)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C21H22N6O2/c1-2-26-19-17(20(28)27(21(26)29)12-15-8-9-15)23-18(24-19)16-10-22-25(13-16)11-14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3,(H,23,24)