4-[[2-azanyl-5-[2-(4-ethylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol hydrochloride

Systemtic Name: 4-[[2-azanyl-5-[2-(4-ethylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol hydrochloride Openeye Name: 4-[[2-amino-5-[2-(4-ethylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol hydrochloride CAS Name: 4-[[2-amino-5-[2-(4-ethylphenyl)ethynyl]-4-pyrimidinyl]amino]-1-cyclohexanol hydrochloride IUPAC Name: 4-[[2-amino-5-[2-(4-ethylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol hydrochloride Traditional Name: 4-[[2-amino-5-[2-(4-ethylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol hydrochloride Formula: C20H25ClN4O MolecularWeight: 372.8917

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3CCC(CC3)O)N.Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3CCC(CC3)O)N.Cl

InChI

InChI=1S/C20H24N4O.ClH/c1-2-14-3-5-15(6-4-14)7-8-16-13-22-20(21)24-19(16)23-17-9-11-18(25)12-10-17;/h3-6,13,17-18,25H,2,9-12H2,1H3,(H3,21,22,23,24);1H