4-(6-chloranyl-9-prop-2-enyl-purin-8-yl)-N,N-dimethyl-aniline hydrochloride

Systemtic Name: 4-(6-chloranyl-9-prop-2-enyl-purin-8-yl)-N,N-dimethyl-aniline hydrochloride Openeye Name: 4-(9-allyl-6-chloro-purin-8-yl)-N,N-dimethyl-aniline hydrochloride CAS Name: 4-(6-chloro-9-prop-2-enyl-8-purinyl)-N,N-dimethylaniline hydrochloride IUPAC Name: 4-(6-chloro-9-prop-2-enylpurin-8-yl)-N,N-dimethylaniline hydrochloride Traditional Name: [4-(9-allyl-6-chloro-purin-8-yl)phenyl]-dimethyl-amine hydrochloride Formula: C16H17Cl2N5 MolecularWeight: 350.24568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NC3=C(N2CC=C)N=CN=C3Cl.Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NC3=C(N2CC=C)N=CN=C3Cl.Cl

InChI

InChI=1S/C16H16ClN5.ClH/c1-4-9-22-15(11-5-7-12(8-6-11)21(2)3)20-13-14(17)18-10-19-16(13)22;/h4-8,10H,1,9H2,2-3H3;1H