8-azanyl-2-(3-methyl-4-propoxy-phenyl)purin-6-one; 2-methyl-2-(sulfinoamino)propane

Systemtic Name: 8-azanyl-2-(3-methyl-4-propoxy-phenyl)purin-6-one; 2-methyl-2-(sulfinoamino)propane Openeye Name: 8-amino-2-(3-methyl-4-propoxy-phenyl)purin-6-one; 2-methyl-2-(sulfinoamino)propane CAS Name: 8-amino-2-(3-methyl-4-propoxyphenyl)-6-purinone; 2-methyl-2-(sulfinoamino)propane IUPAC Name: 8-amino-2-(3-methyl-4-propoxyphenyl)purin-6-one; 2-methyl-2-(sulfinoamino)propane Traditional Name: 8-amino-2-(3-methyl-4-propoxy-phenyl)purin-6-one; 2-methyl-2-(sulfinoamino)propane Formula: C19H26N6O4S MolecularWeight: 434.51254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O2.C4H11NO2S/c1-3-6-22-10-5-4-9(7-8(10)2)12-18-13-11(14(21)19-12)17-15(16)20-13;1-4(2,3)5-8(6)7/h4-5,7H,3,6H2,1-2H3,(H2,16,18,19,20,21);5H,1-3H3,(H,6,7)