3-[2-(4-chlorophenyl)ethyl]-1-propyl-8-(pyridin-4-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-[2-(4-chlorophenyl)ethyl]-1-propyl-8-(pyridin-4-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-[2-(4-chlorophenyl)ethyl]-1-propyl-8-(4-pyridylmethyl)-7H-purine-2,6-dione CAS Name: 3-[2-(4-chlorophenyl)ethyl]-1-propyl-8-(pyridin-4-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-[2-(4-chlorophenyl)ethyl]-1-propyl-8-(pyridin-4-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-[2-(4-chlorophenyl)ethyl]-1-propyl-8-(4-pyridylmethyl)-7H-purine-2,6-quinone Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=NC=C3)N(C1=O)CCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=NC=C3)N(C1=O)CCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN5O2/c1-2-12-28-21(29)19-20(26-18(25-19)14-16-7-10-24-11-8-16)27(22(28)30)13-9-15-3-5-17(23)6-4-15/h3-8,10-11H,2,9,12-14H2,1H3,(H,25,26)