1-[4-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)butyl]-3-[3-(hydroxymethyl)phenyl]urea

Systemtic Name: 1-[4-(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)butyl]-3-[3-(hydroxymethyl)phenyl]urea Openeye Name: 1-[4-(6-amino-2-butoxy-8-methoxy-purin-9-yl)butyl]-3-[3-(hydroxymethyl)phenyl]urea CAS Name: 1-[4-(6-amino-2-butoxy-8-methoxy-9-purinyl)butyl]-3-[3-(hydroxymethyl)phenyl]urea IUPAC Name: 1-[4-(6-amino-2-butoxy-8-methoxypurin-9-yl)butyl]-3-[3-(hydroxymethyl)phenyl]urea Traditional Name: 1-[4-(6-amino-2-butoxy-8-methoxy-purin-9-yl)butyl]-3-(3-methylolphenyl)urea Formula: C22H31N7O4 MolecularWeight: 457.52604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCCCNC(=O)NC3=CC=CC(=C3)CO)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CCCCNC(=O)NC3=CC=CC(=C3)CO)OC

InChI

InChI=1S/C22H31N7O4/c1-3-4-12-33-21-27-18(23)17-19(28-21)29(22(26-17)32-2)11-6-5-10-24-20(31)25-16-9-7-8-15(13-16)14-30/h7-9,13,30H,3-6,10-12,14H2,1-2H3,(H2,23,27,28)(H2,24,25,31)