1,3-dipropyl-8-(1-pyridin-4-ylpropan-2-yl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dipropyl-8-(1-pyridin-4-ylpropan-2-yl)-7H-purine-2,6-dione Openeye Name: 8-[1-methyl-2-(4-pyridyl)ethyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-(1-pyridin-4-ylpropan-2-yl)-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-(1-pyridin-4-ylpropan-2-yl)-7H-purine-2,6-dione Traditional Name: 8-[1-methyl-2-(4-pyridyl)ethyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C19H25N5O2 MolecularWeight: 355.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C)CC3=CC=NC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C)CC3=CC=NC=C3

InChI

InChI=1S/C19H25N5O2/c1-4-10-23-17-15(18(25)24(11-5-2)19(23)26)21-16(22-17)13(3)12-14-6-8-20-9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,22)