3-chloranyl-4-[9-(dicyclopropylmethyl)-8-ethyl-purin-6-yl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[9-(dicyclopropylmethyl)-8-ethyl-purin-6-yl]benzenecarbonitrile Openeye Name: 3-chloro-4-[9-(dicyclopropylmethyl)-8-ethyl-purin-6-yl]benzonitrile CAS Name: 3-chloro-4-[9-(dicyclopropylmethyl)-8-ethyl-6-purinyl]benzonitrile IUPAC Name: 3-chloro-4-[9-(dicyclopropylmethyl)-8-ethylpurin-6-yl]benzonitrile Traditional Name: 3-chloro-4-[9-(dicyclopropylmethyl)-8-ethyl-purin-6-yl]benzonitrile Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=C(C=C(C=C5)C#N)Cl

Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(C3CC3)C4CC4)C5=C(C=C(C=C5)C#N)Cl

InChI

InChI=1S/C21H20ClN5/c1-2-17-26-19-18(15-8-3-12(10-23)9-16(15)22)24-11-25-21(19)27(17)20(13-4-5-13)14-6-7-14/h3,8-9,11,13-14,20H,2,4-7H2,1H3