N-(3-ethynylphenyl)-7-prop-2-enyl-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride

Systemtic Name: N-(3-ethynylphenyl)-7-prop-2-enyl-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride Openeye Name: 7-allyl-N-(3-ethynylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride CAS Name: N-(3-ethynylphenyl)-7-prop-2-enyl-4-pyrrolo[2,3-d]pyrimidinamine hydrochloride IUPAC Name: N-(3-ethynylphenyl)-7-prop-2-enylpyrrolo[2,3-d]pyrimidin-4-amine hydrochloride Traditional Name: (7-allylpyrrolo[2,3-d]pyrimidin-4-yl)-(3-ethynylphenyl)amine hydrochloride Formula: C17H15ClN4 MolecularWeight: 310.7808

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)C#C.Cl

Isomeric SMILES

C=CCN1C=CC2=C1N=CN=C2NC3=CC=CC(=C3)C#C.Cl

InChI

InChI=1S/C17H14N4.ClH/c1-3-9-21-10-8-15-16(18-12-19-17(15)21)20-14-7-5-6-13(4-2)11-14;/h2-3,5-8,10-12H,1,9H2,(H,18,19,20);1H