3-[2-[(2-chlorophenyl)methylamino]-9-(3-methoxypropyl)purin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[(2-chlorophenyl)methylamino]-9-(3-methoxypropyl)purin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[(2-chlorophenyl)methylamino]-9-(3-methoxypropyl)purin-8-yl]benzonitrile CAS Name: 3-[2-[(2-chlorophenyl)methylamino]-9-(3-methoxypropyl)-8-purinyl]benzonitrile IUPAC Name: 3-[2-[(2-chlorophenyl)methylamino]-9-(3-methoxypropyl)purin-8-yl]benzonitrile Traditional Name: 3-[2-[(2-chlorobenzyl)amino]-9-(3-methoxypropyl)purin-8-yl]benzonitrile Formula: C23H21ClN6O MolecularWeight: 432.90544

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NC2=CN=C(N=C21)NCC3=CC=CC=C3Cl)C4=CC=CC(=C4)C#N

Isomeric SMILES

COCCCN1C(=NC2=CN=C(N=C21)NCC3=CC=CC=C3Cl)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H21ClN6O/c1-31-11-5-10-30-21(17-8-4-6-16(12-17)13-25)28-20-15-27-23(29-22(20)30)26-14-18-7-2-3-9-19(18)24/h2-4,6-9,12,15H,5,10-11,14H2,1H3,(H,26,27,29)