3-[2-(4-aminophenyl)ethyl]-1-pentyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-1-pentyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-1-pentyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-1-pentyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-1-pentyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-1-amyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-quinone Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=NN3)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=NN3)N(C1=O)CCC4=CC=C(C=C4)N

InChI

InChI=1S/C22H27N7O2/c1-2-3-4-12-29-21(30)19-20(26-18(25-19)14-17-9-11-24-27-17)28(22(29)31)13-10-15-5-7-16(23)8-6-15/h5-9,11H,2-4,10,12-14,23H2,1H3,(H,24,27)(H,25,26)