3-phenethyl-1-propyl-8-(pyridin-4-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-phenethyl-1-propyl-8-(pyridin-4-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-phenethyl-1-propyl-8-(4-pyridylmethyl)-7H-purine-2,6-dione CAS Name: 3-phenethyl-1-propyl-8-(pyridin-4-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-phenethyl-1-propyl-8-(pyridin-4-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-phenethyl-1-propyl-8-(4-pyridylmethyl)-7H-purine-2,6-quinone Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=NC=C3)N(C1=O)CCC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=NC=C3)N(C1=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-2-13-27-21(28)19-20(25-18(24-19)15-17-8-11-23-12-9-17)26(22(27)29)14-10-16-6-4-3-5-7-16/h3-9,11-12H,2,10,13-15H2,1H3,(H,24,25)