N-[(3,4-dichlorophenyl)methyl]-9-(oxan-2-yl)purin-6-amine

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-9-(oxan-2-yl)purin-6-amine Openeye Name: N-[(3,4-dichlorophenyl)methyl]-9-tetrahydropyran-2-yl-purin-6-amine CAS Name: N-[(3,4-dichlorophenyl)methyl]-9-(2-oxanyl)-6-purinamine IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-9-(oxan-2-yl)purin-6-amine Traditional Name: (3,4-dichlorobenzyl)-(9-tetrahydropyran-2-ylpurin-6-yl)amine Formula: C17H17Cl2N5O MolecularWeight: 378.25578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=CN=C3NCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3NCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C17H17Cl2N5O/c18-12-5-4-11(7-13(12)19)8-20-16-15-17(22-9-21-16)24(10-23-15)14-3-1-2-6-25-14/h4-5,7,9-10,14H,1-3,6,8H2,(H,20,21,22)