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

Systemtic Name: 3-(2-methoxyethyl)-8-[1-(phenylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-(2-methoxyethyl)-7H-purine-2,6-dione CAS Name: 3-(2-methoxyethyl)-8-[1-(phenylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-(2-methoxyethyl)-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-(2-methoxyethyl)-7H-purine-2,6-quinone Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C18H18N6O3/c1-27-8-7-24-16-14(17(25)22-18(24)26)20-15(21-16)13-9-19-23(11-13)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,20,21)(H,22,25,26)