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

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]prop-2-enoic acid Openeye Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-2-propenoic acid IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid Traditional Name: 2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenyl]acrylic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-4-10-23-17-15(18(25)24(11-5-2)20(23)28)21-16(22-17)14-8-6-13(7-9-14)12(3)19(26)27/h6-9H,3-5,10-11H2,1-2H3,(H,21,22)(H,26,27)