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

Systemtic Name: methyl 4-[[(6-heptan-3-yl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[[6-(1-ethylpentyl)-4-oxo-1H-pyrimidin-2-yl]carbamoylamino]methyl]benzoate CAS Name: 4-[[[[(6-heptan-3-yl-4-oxo-1H-pyrimidin-2-yl)amino]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6-heptan-3-yl-4-oxo-1H-pyrimidin-2-yl)carbamoylamino]methyl]benzoate Traditional Name: 4-[[[6-(1-ethylpentyl)-4-keto-1H-pyrimidin-2-yl]carbamoylamino]methyl]benzoic acid methyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-4-6-7-15(5-2)17-12-18(26)24-20(23-17)25-21(28)22-13-14-8-10-16(11-9-14)19(27)29-3/h8-12,15H,4-7,13H2,1-3H3,(H3,22,23,24,25,26,28)