6-[(4-methylphenyl)methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[(4-methylphenyl)methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 9-(3-hydroxypropyl)-6-(p-tolylmethylamino)purine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[(4-methylphenyl)methylamino]-2-purinecarbonitrile IUPAC Name: 9-(3-hydroxypropyl)-6-[(4-methylphenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-(3-hydroxypropyl)-6-[(4-methylbenzyl)amino]purine-2-carbonitrile Formula: C17H18N6O MolecularWeight: 322.36442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N

InChI

InChI=1S/C17H18N6O/c1-12-3-5-13(6-4-12)10-19-16-15-17(22-14(9-18)21-16)23(11-20-15)7-2-8-24/h3-6,11,24H,2,7-8,10H2,1H3,(H,19,21,22)