4-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propylamino]benzoic acid

Systemtic Name: 4-[3-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)propylamino]benzoic acid Openeye Name: 4-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylamino]benzoic acid CAS Name: 4-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylamino]benzoic acid IUPAC Name: 4-[3-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)propylamino]benzoic acid Traditional Name: 4-[3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propylamino]benzoic acid Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H18N4O3/c1-9-12(13(20)19-15(16)18-9)3-2-8-17-11-6-4-10(5-7-11)14(21)22/h4-7,17H,2-3,8H2,1H3,(H,21,22)(H3,16,18,19,20)