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

Systemtic Name: 9-butyl-6-[(phenylmethyl)amino]-7,8-dihydropurine-2-carbonitrile Openeye Name: 6-(benzylamino)-9-butyl-7,8-dihydropurine-2-carbonitrile CAS Name: 9-butyl-6-[(phenylmethyl)amino]-7,8-dihydropurine-2-carbonitrile IUPAC Name: 6-(benzylamino)-9-butyl-7,8-dihydropurine-2-carbonitrile Traditional Name: 6-(benzylamino)-9-butyl-7,8-dihydropurine-2-carbonitrile Formula: C17H20N6 MolecularWeight: 308.3809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CNC2=C1N=C(N=C2NCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCN1CNC2=C1N=C(N=C2NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H20N6/c1-2-3-9-23-12-20-15-16(21-14(10-18)22-17(15)23)19-11-13-7-5-4-6-8-13/h4-8,20H,2-3,9,11-12H2,1H3,(H,19,21,22)