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

Systemtic Name: 4-[[2-azanyl-5-[2-(4-propylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol hydrochloride Openeye Name: 4-[[2-amino-5-[2-(4-propylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol hydrochloride CAS Name: 4-[[2-amino-5-[2-(4-propylphenyl)ethynyl]-4-pyrimidinyl]amino]-1-cyclohexanol hydrochloride IUPAC Name: 4-[[2-amino-5-[2-(4-propylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol hydrochloride Traditional Name: 4-[[2-amino-5-[2-(4-propylphenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol hydrochloride Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3CCC(CC3)O)N.Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3CCC(CC3)O)N.Cl

InChI

InChI=1S/C21H26N4O.ClH/c1-2-3-15-4-6-16(7-5-15)8-9-17-14-23-21(22)25-20(17)24-18-10-12-19(26)13-11-18;/h4-7,14,18-19,26H,2-3,10-13H2,1H3,(H3,22,23,24,25);1H