1,3-dimethyl-8-[phenyl(1-pyridin-3-ylethyl)amino]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[phenyl(1-pyridin-3-ylethyl)amino]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[N-[1-(3-pyridyl)ethyl]anilino]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[N-[1-(3-pyridinyl)ethyl]anilino]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[N-(1-pyridin-3-ylethyl)anilino]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[N-[1-(3-pyridyl)ethyl]anilino]-7H-purine-2,6-quinone Formula: C20H20N6O2 MolecularWeight: 376.4118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)N(C2=CC=CC=C2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(C1=CN=CC=C1)N(C2=CC=CC=C2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H20N6O2/c1-13(14-8-7-11-21-12-14)26(15-9-5-4-6-10-15)19-22-16-17(23-19)24(2)20(28)25(3)18(16)27/h4-13H,1-3H3,(H,22,23)