7-propyl-8-(pyridin-4-ylmethyl)-3H-purine-2,6-dione

Systemtic Name: 7-propyl-8-(pyridin-4-ylmethyl)-3H-purine-2,6-dione Openeye Name: 7-propyl-8-(4-pyridylmethyl)-3H-purine-2,6-dione CAS Name: 7-propyl-8-(pyridin-4-ylmethyl)-3H-purine-2,6-dione IUPAC Name: 7-propyl-8-(pyridin-4-ylmethyl)-3H-purine-2,6-dione Traditional Name: 7-propyl-8-(4-pyridylmethyl)xanthine Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)NC(=O)N2)CC3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)NC(=O)N2)CC3=CC=NC=C3

InChI

InChI=1S/C14H15N5O2/c1-2-7-19-10(8-9-3-5-15-6-4-9)16-12-11(19)13(20)18-14(21)17-12/h3-6H,2,7-8H2,1H3,(H2,17,18,20,21)