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9-(oxan-2-ylmethyl)-6-[(phenylmethyl)amino]purine-2-carbonitrile

9-(oxan-2-ylmethyl)-6-[(phenylmethyl)amino]purine-2-carbonitrile

Systemtic Name:9-(oxan-2-ylmethyl)-6-[(phenylmethyl)amino]purine-2-carbonitrile
Openeye Name:6-(benzylamino)-9-(tetrahydropyran-2-ylmethyl)purine-2-carbonitrile
CAS Name:9-(2-oxanylmethyl)-6-[(phenylmethyl)amino]-2-purinecarbonitrile
IUPAC Name:6-(benzylamino)-9-(oxan-2-ylmethyl)purine-2-carbonitrile
Traditional Name:6-(benzylamino)-9-(tetrahydropyran-2-ylmethyl)purine-2-carbonitrile
Formula: C19H20N6O
MolecularWeight: 348.4017
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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CN2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)C#N


Isomeric SMILES

C1CCOC(C1)CN2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)C#N


InChI

InChI=1S/C19H20N6O/c20-10-16-23-18(21-11-14-6-2-1-3-7-14)17-19(24-16)25(13-22-17)12-15-8-4-5-9-26-15/h1-3,6-7,13,15H,4-5,8-9,11-12H2,(H,21,23,24)


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