4-[[6-azanyl-3-butyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]iminomethyl]benzoic acid

Systemtic Name: 4-[[6-azanyl-3-butyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]iminomethyl]benzoic acid Openeye Name: 4-[(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]benzoic acid CAS Name: 4-[(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]benzoic acid IUPAC Name: 4-[(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]benzoic acid Traditional Name: 4-[(6-amino-3-butyl-2,4-diketo-1H-pyrimidin-5-yl)iminomethyl]benzoic acid Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(NC1=O)N)N=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C(=C(NC1=O)N)N=CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H18N4O4/c1-2-3-8-20-14(21)12(13(17)19-16(20)24)18-9-10-4-6-11(7-5-10)15(22)23/h4-7,9H,2-3,8,17H2,1H3,(H,19,24)(H,22,23)