N-[8-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]-9-methyl-purin-6-yl]benzamide

Systemtic Name: N-[8-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]-9-methyl-purin-6-yl]benzamide Openeye Name: N-[8-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propoxy]-9-methyl-purin-6-yl]benzamide CAS Name: N-[8-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-9-methyl-6-purinyl]benzamide IUPAC Name: N-[8-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-9-methylpurin-6-yl]benzamide Traditional Name: N-[8-(3-hydroxy-2-methyl-2-methylol-propoxy)-9-methyl-purin-6-yl]benzamide Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC1=NC2=C(N1C)N=CN=C2NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CO)(CO)COC1=NC2=C(N1C)N=CN=C2NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O4/c1-18(8-24,9-25)10-27-17-21-13-14(19-11-20-15(13)23(17)2)22-16(26)12-6-4-3-5-7-12/h3-7,11,24-25H,8-10H2,1-2H3,(H,19,20,22,26)