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

Systemtic Name: 1-(cyclopropylmethyl)-3-methyl-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1-(cyclopropylmethyl)-3-methyl-7H-purine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-3-methyl-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1-(cyclopropylmethyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1-(cyclopropylmethyl)-3-methyl-7H-purine-2,6-quinone Formula: C20H20N6O2 MolecularWeight: 376.4118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3CC3)NC(=N2)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3CC3)NC(=N2)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C20H20N6O2/c1-24-18-16(19(27)26(20(24)28)11-14-7-8-14)22-17(23-18)15-9-21-25(12-15)10-13-5-3-2-4-6-13/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,22,23)