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

Systemtic Name: 4-[6-azanyl-8-methoxy-9-(phenylmethyl)purin-2-yl]oxybutan-1-ol Openeye Name: 4-(6-amino-9-benzyl-8-methoxy-purin-2-yl)oxybutan-1-ol CAS Name: 4-[[6-amino-8-methoxy-9-(phenylmethyl)-2-purinyl]oxy]-1-butanol IUPAC Name: 4-(6-amino-9-benzyl-8-methoxypurin-2-yl)oxybutan-1-ol Traditional Name: 4-(6-amino-9-benzyl-8-methoxy-purin-2-yl)oxybutan-1-ol Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2N)OCCCCO

Isomeric SMILES

COC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2N)OCCCCO

InChI

InChI=1S/C17H21N5O3/c1-24-17-19-13-14(18)20-16(25-10-6-5-9-23)21-15(13)22(17)11-12-7-3-2-4-8-12/h2-4,7-8,23H,5-6,9-11H2,1H3,(H2,18,20,21)