8-azanyl-2-(3-propoxyphenyl)purin-6-one; 1-chloranyl-4-(sulfinoamino)benzene

Systemtic Name: 8-azanyl-2-(3-propoxyphenyl)purin-6-one; 1-chloranyl-4-(sulfinoamino)benzene Openeye Name: 8-amino-2-(3-propoxyphenyl)purin-6-one; 1-chloro-4-(sulfinoamino)benzene CAS Name: 8-amino-2-(3-propoxyphenyl)-6-purinone; 1-chloro-4-(sulfinoamino)benzene IUPAC Name: 8-amino-2-(3-propoxyphenyl)purin-6-one; 1-chloro-4-(sulfinoamino)benzene Traditional Name: 8-amino-2-(3-propoxyphenyl)purin-6-one; 1-chloro-4-(sulfinoamino)benzene Formula: C20H19ClN6O4S MolecularWeight: 474.92066

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N.C1=CC(=CC=C1NS(=O)O)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N.C1=CC(=CC=C1NS(=O)O)Cl

InChI

InChI=1S/C14H13N5O2.C6H6ClNO2S/c1-2-6-21-9-5-3-4-8(7-9)11-17-12-10(13(20)18-11)16-14(15)19-12;7-5-1-3-6(4-2-5)8-11(9)10/h3-5,7H,2,6H2,1H3,(H2,15,17,18,19,20);1-4,8H,(H,9,10)