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

Systemtic Name: 7-methyl-1,3-dipropyl-8-[(E)-2-pyrazin-2-ylethenyl]purine-2,6-dione Openeye Name: 7-methyl-1,3-dipropyl-8-[(E)-2-pyrazin-2-ylvinyl]purine-2,6-dione CAS Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(2-pyrazinyl)ethenyl]purine-2,6-dione IUPAC Name: 7-methyl-1,3-dipropyl-8-[(E)-2-pyrazin-2-ylethenyl]purine-2,6-dione Traditional Name: 7-methyl-1,3-dipropyl-8-[(E)-2-pyrazin-2-ylvinyl]xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2/c1-4-10-23-16-15(17(25)24(11-5-2)18(23)26)22(3)14(21-16)7-6-13-12-19-8-9-20-13/h6-9,12H,4-5,10-11H2,1-3H3/b7-6+