4-[[2-azanyl-4,6-bis(oxidanylidene)-5-propyl-1H-pyrimidin-5-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-azanyl-4,6-bis(oxidanylidene)-5-propyl-1H-pyrimidin-5-yl]methyl]benzoic acid Openeye Name: 4-[(2-amino-4,6-dioxo-5-propyl-1H-pyrimidin-5-yl)methyl]benzoic acid CAS Name: 4-[(2-amino-4,6-dioxo-5-propyl-1H-pyrimidin-5-yl)methyl]benzoic acid IUPAC Name: 4-[(2-amino-4,6-dioxo-5-propyl-1H-pyrimidin-5-yl)methyl]benzoic acid Traditional Name: 4-[(2-amino-4,6-diketo-5-propyl-1H-pyrimidin-5-yl)methyl]benzoic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)NC(=NC1=O)N)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1(C(=O)NC(=NC1=O)N)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17N3O4/c1-2-7-15(12(21)17-14(16)18-13(15)22)8-9-3-5-10(6-4-9)11(19)20/h3-6H,2,7-8H2,1H3,(H,19,20)(H3,16,17,18,21,22)