(E)-3-[2,4-dipropyl-3-(7H-purin-8-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2,4-dipropyl-3-(7H-purin-8-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2,4-dipropyl-3-(7H-purin-8-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2,4-dipropyl-3-(7H-purin-8-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2,4-dipropyl-3-(7H-purin-8-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2,4-dipropyl-3-(7H-purin-8-yl)phenyl]acrylic acid Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)C=CC(=O)O)CCC)C2=NC3=NC=NC=C3N2

Isomeric SMILES

CCCC1=C(C(=C(C=C1)/C=C/C(=O)O)CCC)C2=NC3=NC=NC=C3N2

InChI

InChI=1S/C20H22N4O2/c1-3-5-14-8-7-13(9-10-17(25)26)15(6-4-2)18(14)20-23-16-11-21-12-22-19(16)24-20/h7-12H,3-6H2,1-2H3,(H,25,26)(H,21,22,23,24)/b10-9+