2-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]pyrimidine-5-carbonitrile Openeye Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]pyrimidine-5-carbonitrile CAS Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]pyrimidine-5-carbonitrile Traditional Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]pyrimidine-5-carbonitrile Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=NC=C(C=N2)C#N)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=NC=C(C=N2)C#N)O

InChI

InChI=1S/C18H22N4O2/c1-18(2,3)22-11-15(23)12-24-16-6-4-14(5-7-16)17-20-9-13(8-19)10-21-17/h4-7,9-10,15,22-23H,11-12H2,1-3H3