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

Systemtic Name: 8-[1-(3-phenylpropyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-(3-phenylpropyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-(3-phenylpropyl)-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-(3-phenylpropyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-(3-phenylpropyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H28N6O2/c1-3-12-28-21-19(22(30)29(13-4-2)23(28)31)25-20(26-21)18-15-24-27(16-18)14-8-11-17-9-6-5-7-10-17/h5-7,9-10,15-16H,3-4,8,11-14H2,1-2H3,(H,25,26)