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4-(aminomethyl)-N-[1-oxidanylidene-3-(3-phenoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[1-oxidanylidene-3-(3-phenoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide

Systemtic Name:4-(aminomethyl)-N-[1-oxidanylidene-3-(3-phenoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide
Openeye Name:4-(aminomethyl)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-2-(pyrimidin-4-ylamino)ethyl]cyclohexanecarboxamide
CAS Name:4-(aminomethyl)-N-[1-oxo-3-(3-phenoxyphenyl)-1-(4-pyrimidinylamino)propan-2-yl]-1-cyclohexanecarboxamide
IUPAC Name:4-(aminomethyl)-N-[1-oxo-3-(3-phenoxyphenyl)-1-(pyrimidin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide
Traditional Name:4-(aminomethyl)-N-[2-keto-1-(3-phenoxybenzyl)-2-(4-pyrimidylamino)ethyl]cyclohexanecarboxamide
Formula: C27H31N5O3
MolecularWeight: 473.56674
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=NC=NC=C4


Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=NC=NC=C4


InChI

InChI=1S/C27H31N5O3/c28-17-19-9-11-21(12-10-19)26(33)31-24(27(34)32-25-13-14-29-18-30-25)16-20-5-4-8-23(15-20)35-22-6-2-1-3-7-22/h1-8,13-15,18-19,21,24H,9-12,16-17,28H2,(H,31,33)(H,29,30,32,34)


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