(E)-3-[4-[1,3-bis(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[1,3-bis(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(1,3-diisobutyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1,3-bis(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1,3-bis(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(1,3-diisobutyl-2,6-diketo-7H-purin-8-yl)phenyl]acrylic acid Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC(C)C)NC(=N2)C3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC(C)C)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C22H26N4O4/c1-13(2)11-25-20-18(21(29)26(22(25)30)12-14(3)4)23-19(24-20)16-8-5-15(6-9-16)7-10-17(27)28/h5-10,13-14H,11-12H2,1-4H3,(H,23,24)(H,27,28)/b10-7+