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

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

Systemtic Name:8-azanyl-2-(3-propoxyphenyl)purin-6-one; 2-(sulfinoamino)propane
Openeye Name:8-amino-2-(3-propoxyphenyl)purin-6-one; 2-(sulfinoamino)propane
CAS Name:8-amino-2-(3-propoxyphenyl)-6-purinone; 2-(sulfinoamino)propane
IUPAC Name:8-amino-2-(3-propoxyphenyl)purin-6-one; 2-(sulfinoamino)propane
Traditional Name:8-amino-2-(3-propoxyphenyl)purin-6-one; 2-(sulfinoamino)propane
Formula: C17H22N6O4S
MolecularWeight: 406.45938
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H13N5O2.C3H9NO2S/c1-2-6-21-9-5-3-4-8(7-9)11-17-12-10(13(20)18-11)16-14(15)19-12;1-3(2)4-7(5)6/h3-5,7H,2,6H2,1H3,(H2,15,17,18,19,20);3-4H,1-2H3,(H,5,6)


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