1,3-dipropyl-8-[(E)-2-pyridin-2-ylethenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dipropyl-8-[(E)-2-pyridin-2-ylethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[(E)-2-(2-pyridyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[(E)-2-(2-pyridinyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[(E)-2-pyridin-2-ylethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[(E)-2-(2-pyridyl)vinyl]-7H-purine-2,6-quinone Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C=CC3=CC=CC=N3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C18H21N5O2/c1-3-11-22-16-15(17(24)23(12-4-2)18(22)25)20-14(21-16)9-8-13-7-5-6-10-19-13/h5-10H,3-4,11-12H2,1-2H3,(H,20,21)/b9-8+