7-(2-azanylethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride

Systemtic Name: 7-(2-azanylethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride Openeye Name: 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride CAS Name: 7-(2-aminoethyl)-5-(4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine hydrochloride IUPAC Name: 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride Traditional Name: [7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine hydrochloride Formula: C20H20ClN5O MolecularWeight: 381.8587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)CCN.Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)CCN.Cl

InChI

InChI=1S/C20H19N5O.ClH/c21-10-11-25-12-17(18-19(22)23-13-24-20(18)25)14-6-8-16(9-7-14)26-15-4-2-1-3-5-15;/h1-9,12-13H,10-11,21H2,(H2,22,23,24);1H