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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=O)NC(=O)N2CC3=CC=NC=C3

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=O)NC(=O)N2CC3=CC=NC=C3

InChI

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