2-azanyl-9-[[1-(4-methylphenoxy)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[1-(4-methylphenoxy)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(hydroxymethyl)-2-(4-methylphenoxy)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-hydroxy-3-(4-methylphenoxy)propan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-hydroxy-3-(4-methylphenoxy)propan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-methylol-2-(4-methylphenoxy)ethoxy]methyl]-3H-purin-6-one Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CO)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CO)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H19N5O4/c1-10-2-4-11(5-3-10)24-7-12(6-22)25-9-21-8-18-13-14(21)19-16(17)20-15(13)23/h2-5,8,12,22H,6-7,9H2,1H3,(H3,17,19,20,23)