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

Systemtic Name: 8-[1-(phenylmethyl)pyrazol-4-yl]-3-propan-2-yl-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-isopropyl-7H-purine-2,6-dione CAS Name: 8-[1-(phenylmethyl)-4-pyrazolyl]-3-propan-2-yl-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-propan-2-yl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-isopropyl-7H-purine-2,6-quinone Formula: C18H18N6O2 MolecularWeight: 350.37452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C18H18N6O2/c1-11(2)24-16-14(17(25)22-18(24)26)20-15(21-16)13-8-19-23(10-13)9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,25,26)