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

Systemtic Name: 8-[1-(1-phenylethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-(1-phenylethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-(1-phenylethyl)-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-(1-phenylethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-(1-phenylethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H26N6O2 MolecularWeight: 406.48084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)C(C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C22H26N6O2/c1-4-11-26-20-18(21(29)27(12-5-2)22(26)30)24-19(25-20)17-13-23-28(14-17)15(3)16-9-7-6-8-10-16/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,25)