6-[(4-chlorophenyl)methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[(4-chlorophenyl)methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[(4-chlorophenyl)methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[(4-chlorophenyl)methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[(4-chlorophenyl)methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[(4-chlorobenzyl)amino]-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C16H15ClN6O MolecularWeight: 342.7829

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=NC3=C2N=CN3CCCO)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=NC3=C2N=CN3CCCO)C#N)Cl

InChI

InChI=1S/C16H15ClN6O/c17-12-4-2-11(3-5-12)9-19-15-14-16(22-13(8-18)21-15)23(10-20-14)6-1-7-24/h2-5,10,24H,1,6-7,9H2,(H,19,21,22)