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

Systemtic Name: 4-[[2-azanyl-4,6-bis(oxidanylidene)-5-prop-2-enyl-1H-pyrimidin-5-yl]methyl]benzoic acid Openeye Name: 4-[(5-allyl-2-amino-4,6-dioxo-1H-pyrimidin-5-yl)methyl]benzoic acid CAS Name: 4-[(2-amino-4,6-dioxo-5-prop-2-enyl-1H-pyrimidin-5-yl)methyl]benzoic acid IUPAC Name: 4-[(2-amino-4,6-dioxo-5-prop-2-enyl-1H-pyrimidin-5-yl)methyl]benzoic acid Traditional Name: 4-[(5-allyl-2-amino-4,6-diketo-1H-pyrimidin-5-yl)methyl]benzoic acid Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(=O)NC(=NC1=O)N)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C=CCC1(C(=O)NC(=NC1=O)N)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15N3O4/c1-2-7-15(12(21)17-14(16)18-13(15)22)8-9-3-5-10(6-4-9)11(19)20/h2-6H,1,7-8H2,(H,19,20)(H3,16,17,18,21,22)