2-propyl-7-(pyridin-4-ylmethyl)-3H-purin-6-one

Systemtic Name: 2-propyl-7-(pyridin-4-ylmethyl)-3H-purin-6-one Openeye Name: 2-propyl-7-(4-pyridylmethyl)-3H-purin-6-one CAS Name: 2-propyl-7-(pyridin-4-ylmethyl)-3H-purin-6-one IUPAC Name: 2-propyl-7-(pyridin-4-ylmethyl)-3H-purin-6-one Traditional Name: 2-propyl-7-(4-pyridylmethyl)-3H-purin-6-one Formula: C14H15N5O MolecularWeight: 269.3018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=NC=C3

Isomeric SMILES

CCCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=NC=C3

InChI

InChI=1S/C14H15N5O/c1-2-3-11-17-13-12(14(20)18-11)19(9-16-13)8-10-4-6-15-7-5-10/h4-7,9H,2-3,8H2,1H3,(H,17,18,20)