9-(3-oxidanylpropyl)-6-[(phenylmethyl)amino]-7,8-dihydropurine-2-carbonitrile

Systemtic Name: 9-(3-oxidanylpropyl)-6-[(phenylmethyl)amino]-7,8-dihydropurine-2-carbonitrile Openeye Name: 6-(benzylamino)-9-(3-hydroxypropyl)-7,8-dihydropurine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[(phenylmethyl)amino]-7,8-dihydropurine-2-carbonitrile IUPAC Name: 6-(benzylamino)-9-(3-hydroxypropyl)-7,8-dihydropurine-2-carbonitrile Traditional Name: 6-(benzylamino)-9-(3-hydroxypropyl)-7,8-dihydropurine-2-carbonitrile Formula: C16H18N6O MolecularWeight: 310.35372

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCCO)N=C(N=C2NCC3=CC=CC=C3)C#N

Isomeric SMILES

C1NC2=C(N1CCCO)N=C(N=C2NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C16H18N6O/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/h1-3,5-6,19,23H,4,7-8,10-11H2,(H,18,20,21)