2,6-bis(bromanyl)-4-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol

Systemtic Name: 2,6-bis(bromanyl)-4-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol Openeye Name: 2,6-dibromo-4-[[(9-tetrahydropyran-2-ylpurin-6-yl)amino]methyl]phenol CAS Name: 2,6-dibromo-4-[[[9-(2-oxanyl)-6-purinyl]amino]methyl]phenol IUPAC Name: 2,6-dibromo-4-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol Traditional Name: 2,6-dibromo-4-[[(9-tetrahydropyran-2-ylpurin-6-yl)amino]methyl]phenol Formula: C17H17Br2N5O2 MolecularWeight: 483.15718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Br2N5O2/c18-11-5-10(6-12(19)15(11)25)7-20-16-14-17(22-8-21-16)24(9-23-14)13-3-1-2-4-26-13/h5-6,8-9,13,25H,1-4,7H2,(H,20,21,22)