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

Systemtic Name: 1,3-dipropyl-8-[(E)-2-pyridin-3-ylethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[(E)-2-(3-pyridyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[(E)-2-(3-pyridinyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[(E)-2-pyridin-3-ylethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[(E)-2-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2/c1-3-10-22-16-15(17(24)23(11-4-2)18(22)25)20-14(21-16)8-7-13-6-5-9-19-12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21)/b8-7+