9-(3-oxidanylpropyl)-6-[(phenylmethyl)amino]purine-2-carbonitrile

Systemtic Name: 9-(3-oxidanylpropyl)-6-[(phenylmethyl)amino]purine-2-carbonitrile Openeye Name: 6-(benzylamino)-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[(phenylmethyl)amino]-2-purinecarbonitrile IUPAC Name: 6-(benzylamino)-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-(benzylamino)-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O/c17-9-13-20-15(18-10-12-5-2-1-3-6-12)14-16(21-13)22(11-19-14)7-4-8-23/h1-3,5-6,11,23H,4,7-8,10H2,(H,18,20,21)