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

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-phenyl-pyrimidine-5-carbonitrile hydrochloride Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-phenyl-pyrimidine-5-carbonitrile hydrochloride CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-phenyl-5-pyrimidinecarbonitrile hydrochloride IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-phenylpyrimidine-5-carbonitrile hydrochloride Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-phenyl-pyrimidine-5-carbonitrile hydrochloride Formula: C18H23ClN4O2 MolecularWeight: 362.85382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=NC(=NC=C1C#N)C2=CC=CC=C2)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=NC(=NC=C1C#N)C2=CC=CC=C2)O.Cl

InChI

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