8-(cyclopentylamino)-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(cyclopentylamino)-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-1,3-dimethyl-7-(4-pyridylmethyl)purine-2,6-dione CAS Name: 8-(cyclopentylamino)-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione Traditional Name: 8-(cyclopentylamino)-1,3-dimethyl-7-(4-pyridylmethyl)xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC=NC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC=NC=C4

InChI

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