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

Systemtic Name: 3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(3-aminophenyl)ethyl]-1-propyl-8-(1H-pyrazol-5-ylmethyl)-7H-purine-2,6-quinone Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=NN3)N(C1=O)CCC4=CC(=CC=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=NN3)N(C1=O)CCC4=CC(=CC=C4)N

InChI

InChI=1S/C20H23N7O2/c1-2-9-27-19(28)17-18(24-16(23-17)12-15-6-8-22-25-15)26(20(27)29)10-7-13-4-3-5-14(21)11-13/h3-6,8,11H,2,7,9-10,12,21H2,1H3,(H,22,25)(H,23,24)