9-butyl-6-[(4-methoxyphenyl)methylamino]-7,8-dihydropurine-2-carbonitrile

Systemtic Name: 9-butyl-6-[(4-methoxyphenyl)methylamino]-7,8-dihydropurine-2-carbonitrile Openeye Name: 9-butyl-6-[(4-methoxyphenyl)methylamino]-7,8-dihydropurine-2-carbonitrile CAS Name: 9-butyl-6-[(4-methoxyphenyl)methylamino]-7,8-dihydropurine-2-carbonitrile IUPAC Name: 9-butyl-6-[(4-methoxyphenyl)methylamino]-7,8-dihydropurine-2-carbonitrile Traditional Name: 9-butyl-6-(p-anisylamino)-7,8-dihydropurine-2-carbonitrile Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O/c1-3-4-9-24-12-21-16-17(22-15(10-19)23-18(16)24)20-11-13-5-7-14(25-2)8-6-13/h5-8,21H,3-4,9,11-12H2,1-2H3,(H,20,22,23)