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

Systemtic Name: 3-methyl-8-[1-(phenylmethyl)pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-3-methyl-1-propyl-7H-purine-2,6-dione CAS Name: 3-methyl-8-[1-(phenylmethyl)-4-pyrazolyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-3-methyl-1-propyl-7H-purine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-3-methyl-1-propyl-7H-purine-2,6-quinone Formula: C19H20N6O2 MolecularWeight: 364.4011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C19H20N6O2/c1-3-9-25-18(26)15-17(23(2)19(25)27)22-16(21-15)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22)