8-azanyl-2-(5-ethyl-2-propoxy-phenyl)purin-6-one; 2-(sulfinoamino)propane

Systemtic Name: 8-azanyl-2-(5-ethyl-2-propoxy-phenyl)purin-6-one; 2-(sulfinoamino)propane Openeye Name: 8-amino-2-(5-ethyl-2-propoxy-phenyl)purin-6-one; 2-(sulfinoamino)propane CAS Name: 8-amino-2-(5-ethyl-2-propoxyphenyl)-6-purinone; 2-(sulfinoamino)propane IUPAC Name: 8-amino-2-(5-ethyl-2-propoxyphenyl)purin-6-one; 2-(sulfinoamino)propane Traditional Name: 8-amino-2-(5-ethyl-2-propoxy-phenyl)purin-6-one; 2-(sulfinoamino)propane Formula: C19H26N6O4S MolecularWeight: 434.51254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2.C3H9NO2S/c1-3-7-23-11-6-5-9(4-2)8-10(11)13-19-14-12(15(22)20-13)18-16(17)21-14;1-3(2)4-7(5)6/h5-6,8H,3-4,7H2,1-2H3,(H2,17,19,20,21,22);3-4H,1-2H3,(H,5,6)