N-(2-methylpropyl)-9-(oxan-2-yl)-N-(phenylmethyl)purin-8-amine

Systemtic Name: N-(2-methylpropyl)-9-(oxan-2-yl)-N-(phenylmethyl)purin-8-amine Openeye Name: N-benzyl-N-isobutyl-9-tetrahydropyran-2-yl-purin-8-amine CAS Name: N-(2-methylpropyl)-9-(2-oxanyl)-N-(phenylmethyl)-8-purinamine IUPAC Name: N-benzyl-N-(2-methylpropyl)-9-(oxan-2-yl)purin-8-amine Traditional Name: benzyl-isobutyl-(9-tetrahydropyran-2-ylpurin-8-yl)amine Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1)C2=NC3=CN=CN=C3N2C4CCCCO4

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1)C2=NC3=CN=CN=C3N2C4CCCCO4

InChI

InChI=1S/C21H27N5O/c1-16(2)13-25(14-17-8-4-3-5-9-17)21-24-18-12-22-15-23-20(18)26(21)19-10-6-7-11-27-19/h3-5,8-9,12,15-16,19H,6-7,10-11,13-14H2,1-2H3