4-[[2-azanyl-5-[2-(4-methoxyphenyl)ethynyl]pyrimidin-4-yl]amino]phenol hydrochloride

Systemtic Name: 4-[[2-azanyl-5-[2-(4-methoxyphenyl)ethynyl]pyrimidin-4-yl]amino]phenol hydrochloride Openeye Name: 4-[[2-amino-5-[2-(4-methoxyphenyl)ethynyl]pyrimidin-4-yl]amino]phenol hydrochloride CAS Name: 4-[[2-amino-5-[2-(4-methoxyphenyl)ethynyl]-4-pyrimidinyl]amino]phenol hydrochloride IUPAC Name: 4-[[2-amino-5-[2-(4-methoxyphenyl)ethynyl]pyrimidin-4-yl]amino]phenol hydrochloride Traditional Name: 4-[[2-amino-5-[2-(4-methoxyphenyl)ethynyl]pyrimidin-4-yl]amino]phenol hydrochloride Formula: C19H17ClN4O2 MolecularWeight: 368.81688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3=CC=C(C=C3)O)N.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3=CC=C(C=C3)O)N.Cl

InChI

InChI=1S/C19H16N4O2.ClH/c1-25-17-10-3-13(4-11-17)2-5-14-12-21-19(20)23-18(14)22-15-6-8-16(24)9-7-15;/h3-4,6-12,24H,1H3,(H3,20,21,22,23);1H