2-chloranyl-9-(oxan-2-ylmethyl)-N-(phenylmethyl)purin-6-amine

Systemtic Name: 2-chloranyl-9-(oxan-2-ylmethyl)-N-(phenylmethyl)purin-6-amine Openeye Name: N-benzyl-2-chloro-9-(tetrahydropyran-2-ylmethyl)purin-6-amine CAS Name: 2-chloro-9-(2-oxanylmethyl)-N-(phenylmethyl)-6-purinamine IUPAC Name: N-benzyl-2-chloro-9-(oxan-2-ylmethyl)purin-6-amine Traditional Name: benzyl-[2-chloro-9-(tetrahydropyran-2-ylmethyl)purin-6-yl]amine Formula: C18H20ClN5O MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O/c19-18-22-16(20-10-13-6-2-1-3-7-13)15-17(23-18)24(12-21-15)11-14-8-4-5-9-25-14/h1-3,6-7,12,14H,4-5,8-11H2,(H,20,22,23)