8-azanyl-2-(3-propoxyphenyl)purin-6-one; 1-(sulfinoamino)hexane

Systemtic Name: 8-azanyl-2-(3-propoxyphenyl)purin-6-one; 1-(sulfinoamino)hexane Openeye Name: 8-amino-2-(3-propoxyphenyl)purin-6-one; 1-(sulfinoamino)hexane CAS Name: 8-amino-2-(3-propoxyphenyl)-6-purinone; 1-(sulfinoamino)hexane IUPAC Name: 8-amino-2-(3-propoxyphenyl)purin-6-one; 1-(sulfinoamino)hexane Traditional Name: 8-amino-2-(3-propoxyphenyl)purin-6-one; 1-(sulfinoamino)hexane Formula: C20H28N6O4S MolecularWeight: 448.53912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O2.C6H15NO2S/c1-2-6-21-9-5-3-4-8(7-9)11-17-12-10(13(20)18-11)16-14(15)19-12;1-2-3-4-5-6-7-10(8)9/h3-5,7H,2,6H2,1H3,(H2,15,17,18,19,20);7H,2-6H2,1H3,(H,8,9)