4-[6-azanyl-8-bromanyl-9-(phenylmethyl)purin-2-yl]oxybutan-1-ol

Systemtic Name: 4-[6-azanyl-8-bromanyl-9-(phenylmethyl)purin-2-yl]oxybutan-1-ol Openeye Name: 4-(6-amino-9-benzyl-8-bromo-purin-2-yl)oxybutan-1-ol CAS Name: 4-[[6-amino-8-bromo-9-(phenylmethyl)-2-purinyl]oxy]-1-butanol IUPAC Name: 4-(6-amino-9-benzyl-8-bromopurin-2-yl)oxybutan-1-ol Traditional Name: 4-(6-amino-9-benzyl-8-bromo-purin-2-yl)oxybutan-1-ol Formula: C16H18BrN5O2 MolecularWeight: 392.25042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)OCCCCO)N)N=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)OCCCCO)N)N=C2Br

InChI

InChI=1S/C16H18BrN5O2/c17-15-19-12-13(18)20-16(24-9-5-4-8-23)21-14(12)22(15)10-11-6-2-1-3-7-11/h1-3,6-7,23H,4-5,8-10H2,(H2,18,20,21)