8-azanyl-2-(3-methoxyphenyl)purin-6-one; [methyl(sulfino)amino]methane

Systemtic Name: 8-azanyl-2-(3-methoxyphenyl)purin-6-one; [methyl(sulfino)amino]methane Openeye Name: 8-amino-2-(3-methoxyphenyl)purin-6-one; [methyl(sulfino)amino]methane CAS Name: 8-amino-2-(3-methoxyphenyl)-6-purinone; [methyl(sulfino)amino]methane IUPAC Name: 8-amino-2-(3-methoxyphenyl)purin-6-one; [methyl(sulfino)amino]methane Traditional Name: 8-amino-2-(3-methoxyphenyl)purin-6-one; [methyl(sulfino)amino]methane Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)O.COC1=CC=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CN(C)S(=O)O.COC1=CC=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C12H9N5O2.C2H7NO2S/c1-19-7-4-2-3-6(5-7)9-15-10-8(11(18)16-9)14-12(13)17-10;1-3(2)6(4)5/h2-5H,1H3,(H2,13,15,16,17,18);1-2H3,(H,4,5)