4-[[(6-heptan-3-yl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamoylamino]methyl]benzoic acid

Systemtic Name: 4-[[(6-heptan-3-yl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamoylamino]methyl]benzoic acid Openeye Name: 4-[[[6-(1-ethylpentyl)-4-oxo-1H-pyrimidin-2-yl]carbamoylamino]methyl]benzoic acid CAS Name: 4-[[[[(6-heptan-3-yl-4-oxo-1H-pyrimidin-2-yl)amino]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(6-heptan-3-yl-4-oxo-1H-pyrimidin-2-yl)carbamoylamino]methyl]benzoic acid Traditional Name: 4-[[[6-(1-ethylpentyl)-4-keto-1H-pyrimidin-2-yl]carbamoylamino]methyl]benzoic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=CC(=O)N=C(N1)NC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC(CC)C1=CC(=O)N=C(N1)NC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H26N4O4/c1-3-5-6-14(4-2)16-11-17(25)23-19(22-16)24-20(28)21-12-13-7-9-15(10-8-13)18(26)27/h7-11,14H,3-6,12H2,1-2H3,(H,26,27)(H3,21,22,23,24,25,28)