1,3-dimethyl-7-[4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-[2-(4-methyl-2-pyridyl)-4-pyridyl]butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[4-[2-(4-methyl-2-pyridyl)-4-pyridyl]butyl]xanthine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=NC=CC(=C2)CCCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC(=NC=C1)C2=NC=CC(=C2)CCCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H24N6O2/c1-15-7-9-23-17(12-15)18-13-16(8-10-24-18)6-4-5-11-28-14-25-20-19(28)21(29)27(3)22(30)26(20)2/h7-10,12-14H,4-6,11H2,1-3H3