7-methyl-1,3-dipropyl-8-[(E)-2-pyridin-4-ylethenyl]purine-2,6-dione

Systemtic Name: 7-methyl-1,3-dipropyl-8-[(E)-2-pyridin-4-ylethenyl]purine-2,6-dione Openeye Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(4-pyridyl)vinyl]purine-2,6-dione CAS Name: 7-methyl-1,3-dipropyl-8-[(E)-2-pyridin-4-ylethenyl]purine-2,6-dione IUPAC Name: 7-methyl-1,3-dipropyl-8-[(E)-2-pyridin-4-ylethenyl]purine-2,6-dione Traditional Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(4-pyridyl)vinyl]xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC=NC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2/c1-4-12-23-17-16(18(25)24(13-5-2)19(23)26)22(3)15(21-17)7-6-14-8-10-20-11-9-14/h6-11H,4-5,12-13H2,1-3H3/b7-6+