ethyl 4-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-4-keto-butyric acid ethyl ester Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC(=O)OCC)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC(=O)OCC)CC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O3/c1-4-22-21(18-20-10-7-6-8-11-20)25(27-19(3)26-22)29-15-9-14-28(16-17-29)23(30)12-13-24(31)32-5-2/h6-8,10-11H,4-5,9,12-18H2,1-3H3