N-[3-[[6-[(phenylmethyl)amino]purin-9-yl]methyl]phenyl]methanamide

Systemtic Name: N-[3-[[6-[(phenylmethyl)amino]purin-9-yl]methyl]phenyl]methanamide Openeye Name: N-[3-[[6-(benzylamino)purin-9-yl]methyl]phenyl]formamide CAS Name: N-[3-[[6-[(phenylmethyl)amino]-9-purinyl]methyl]phenyl]formamide IUPAC Name: N-[3-[[6-(benzylamino)purin-9-yl]methyl]phenyl]formamide Traditional Name: N-[3-[[6-(benzylamino)purin-9-yl]methyl]phenyl]formamide Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3CC4=CC(=CC=C4)NC=O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3CC4=CC(=CC=C4)NC=O

InChI

InChI=1S/C20H18N6O/c27-14-25-17-8-4-7-16(9-17)11-26-13-24-18-19(22-12-23-20(18)26)21-10-15-5-2-1-3-6-15/h1-9,12-14H,10-11H2,(H,25,27)(H,21,22,23)