1-[6-[(1-tert-butylcyclohexyl)amino]-5-chloranyl-pyrimidin-4-yl]ethyl ethanoate

Systemtic Name: 1-[6-[(1-tert-butylcyclohexyl)amino]-5-chloranyl-pyrimidin-4-yl]ethyl ethanoate Openeye Name: 1-[6-[(1-tert-butylcyclohexyl)amino]-5-chloro-pyrimidin-4-yl]ethyl acetate CAS Name: acetic acid 1-[6-[(1-tert-butylcyclohexyl)amino]-5-chloro-4-pyrimidinyl]ethyl ester IUPAC Name: 1-[6-[(1-tert-butylcyclohexyl)amino]-5-chloropyrimidin-4-yl]ethyl acetate Traditional Name: acetic acid 1-[6-[(1-tert-butylcyclohexyl)amino]-5-chloro-pyrimidin-4-yl]ethyl ester Formula: C18H28ClN3O2 MolecularWeight: 353.88682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=NC=N1)NC2(CCCCC2)C(C)(C)C)Cl)OC(=O)C

Isomeric SMILES

CC(C1=C(C(=NC=N1)NC2(CCCCC2)C(C)(C)C)Cl)OC(=O)C

InChI

InChI=1S/C18H28ClN3O2/c1-12(24-13(2)23)15-14(19)16(21-11-20-15)22-18(17(3,4)5)9-7-6-8-10-18/h11-12H,6-10H2,1-5H3,(H,20,21,22)