ethyl 3,5-bis[(6-heptan-3-yl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3,5-bis[(6-heptan-3-yl-4-oxidanylidene-1H-pyrimidin-2-yl)carbamoylamino]-4-methyl-benzoate Openeye Name: ethyl 3,5-bis[[6-(1-ethylpentyl)-4-oxo-1H-pyrimidin-2-yl]carbamoylamino]-4-methyl-benzoate CAS Name: 3,5-bis[[[(6-heptan-3-yl-4-oxo-1H-pyrimidin-2-yl)amino]-oxomethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3,5-bis[(6-heptan-3-yl-4-oxo-1H-pyrimidin-2-yl)carbamoylamino]-4-methylbenzoate Traditional Name: 3,5-bis[[6-(1-ethylpentyl)-4-keto-1H-pyrimidin-2-yl]carbamoylamino]-4-methyl-benzoic acid ethyl ester Formula: C34H48N8O6 MolecularWeight: 664.79492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=CC(=O)N=C(N1)NC(=O)NC2=CC(=CC(=C2C)NC(=O)NC3=NC(=O)C=C(N3)C(CC)CCCC)C(=O)OCC

Isomeric SMILES

CCCCC(CC)C1=CC(=O)N=C(N1)NC(=O)NC2=CC(=CC(=C2C)NC(=O)NC3=NC(=O)C=C(N3)C(CC)CCCC)C(=O)OCC

InChI

InChI=1S/C34H48N8O6/c1-7-12-14-21(9-3)26-18-28(43)39-31(35-26)41-33(46)37-24-16-23(30(45)48-11-5)17-25(20(24)6)38-34(47)42-32-36-27(19-29(44)40-32)22(10-4)15-13-8-2/h16-19,21-22H,7-15H2,1-6H3,(H3,35,37,39,41,43,46)(H3,36,38,40,42,44,47)