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

Systemtic Name: (E)-3-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]prop-2-enoic acid Openeye Name: (E)-3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)prop-2-enoic acid CAS Name: (E)-3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-propenoic acid IUPAC Name: (E)-3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)prop-2-enoic acid Traditional Name: (E)-3-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)acrylic acid Formula: C14H18N4O4 MolecularWeight: 306.31712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4/c1-3-7-17-12-11(13(21)18(8-4-2)14(17)22)15-9(16-12)5-6-10(19)20/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)(H,19,20)/b6-5+