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9-butyl-6-(1-phenylethylamino)purine-2-carbonitrile

9-butyl-6-(1-phenylethylamino)purine-2-carbonitrile

Systemtic Name:9-butyl-6-(1-phenylethylamino)purine-2-carbonitrile
Openeye Name:9-butyl-6-(1-phenylethylamino)purine-2-carbonitrile
CAS Name:9-butyl-6-(1-phenylethylamino)-2-purinecarbonitrile
IUPAC Name:9-butyl-6-(1-phenylethylamino)purine-2-carbonitrile
Traditional Name:9-butyl-6-(1-phenylethylamino)purine-2-carbonitrile
Formula: C18H20N6
MolecularWeight: 320.3916
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2NC(C)C3=CC=CC=C3)C#N


Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2NC(C)C3=CC=CC=C3)C#N


InChI

InChI=1S/C18H20N6/c1-3-4-10-24-12-20-16-17(22-15(11-19)23-18(16)24)21-13(2)14-8-6-5-7-9-14/h5-9,12-13H,3-4,10H2,1-2H3,(H,21,22,23)


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