8-[cyclopentyl(pyridin-4-ylmethyl)amino]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[cyclopentyl(pyridin-4-ylmethyl)amino]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[cyclopentyl(4-pyridylmethyl)amino]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[cyclopentyl(pyridin-4-ylmethyl)amino]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[cyclopentyl(pyridin-4-ylmethyl)amino]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[cyclopentyl(4-pyridylmethyl)amino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(CC3=CC=NC=C3)C4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(CC3=CC=NC=C3)C4CCCC4

InChI

InChI=1S/C18H22N6O2/c1-22-15-14(16(25)23(2)18(22)26)20-17(21-15)24(13-5-3-4-6-13)11-12-7-9-19-10-8-12/h7-10,13H,3-6,11H2,1-2H3,(H,20,21)