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

Systemtic Name: ethyl 2-[[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]acetate CAS Name: 2-[[[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]acetate Traditional Name: 2-[[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]acetic acid ethyl ester Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O3/c1-4-21-20(16-19-10-7-6-8-11-19)23(27-18(3)26-21)28-12-9-13-29(15-14-28)24(31)25-17-22(30)32-5-2/h6-8,10-11H,4-5,9,12-17H2,1-3H3,(H,25,31)