8-azanyl-2-(4-methyl-3-propoxy-phenyl)purin-6-one; [methyl(sulfino)amino]methane

Systemtic Name: 8-azanyl-2-(4-methyl-3-propoxy-phenyl)purin-6-one; [methyl(sulfino)amino]methane Openeye Name: 8-amino-2-(4-methyl-3-propoxy-phenyl)purin-6-one; [methyl(sulfino)amino]methane CAS Name: 8-amino-2-(4-methyl-3-propoxyphenyl)-6-purinone; [methyl(sulfino)amino]methane IUPAC Name: 8-amino-2-(4-methyl-3-propoxyphenyl)purin-6-one; [methyl(sulfino)amino]methane Traditional Name: 8-amino-2-(4-methyl-3-propoxy-phenyl)purin-6-one; [methyl(sulfino)amino]methane Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N)C.CN(C)S(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N)C.CN(C)S(=O)O

InChI

InChI=1S/C15H15N5O2.C2H7NO2S/c1-3-6-22-10-7-9(5-4-8(10)2)12-18-13-11(14(21)19-12)17-15(16)20-13;1-3(2)6(4)5/h4-5,7H,3,6H2,1-2H3,(H2,16,18,19,20,21);1-2H3,(H,4,5)