9-butyl-6-[(3-methylphenyl)methylamino]-7,8-dihydropurine-2-carbonitrile

Systemtic Name: 9-butyl-6-[(3-methylphenyl)methylamino]-7,8-dihydropurine-2-carbonitrile Openeye Name: 9-butyl-6-(m-tolylmethylamino)-7,8-dihydropurine-2-carbonitrile CAS Name: 9-butyl-6-[(3-methylphenyl)methylamino]-7,8-dihydropurine-2-carbonitrile IUPAC Name: 9-butyl-6-[(3-methylphenyl)methylamino]-7,8-dihydropurine-2-carbonitrile Traditional Name: 9-butyl-6-[(3-methylbenzyl)amino]-7,8-dihydropurine-2-carbonitrile Formula: C18H22N6 MolecularWeight: 322.40748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6/c1-3-4-8-24-12-21-16-17(22-15(10-19)23-18(16)24)20-11-14-7-5-6-13(2)9-14/h5-7,9,21H,3-4,8,11-12H2,1-2H3,(H,20,22,23)