8-azanyl-2-(3-propoxyphenyl)purin-6-one; 1,3-dimethyl-2-(sulfinoamino)benzene

Systemtic Name: 8-azanyl-2-(3-propoxyphenyl)purin-6-one; 1,3-dimethyl-2-(sulfinoamino)benzene Openeye Name: 8-amino-2-(3-propoxyphenyl)purin-6-one; 1,3-dimethyl-2-(sulfinoamino)benzene CAS Name: 8-amino-2-(3-propoxyphenyl)-6-purinone; 1,3-dimethyl-2-(sulfinoamino)benzene IUPAC Name: 8-amino-2-(3-propoxyphenyl)purin-6-one; 1,3-dimethyl-2-(sulfinoamino)benzene Traditional Name: 8-amino-2-(3-propoxyphenyl)purin-6-one; 1,3-dimethyl-2-(sulfinoamino)benzene Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N.CC1=C(C(=CC=C1)C)NS(=O)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC(=O)C3=NC(=NC3=N2)N.CC1=C(C(=CC=C1)C)NS(=O)O

InChI

InChI=1S/C14H13N5O2.C8H11NO2S/c1-2-6-21-9-5-3-4-8(7-9)11-17-12-10(13(20)18-11)16-14(15)19-12;1-6-4-3-5-7(2)8(6)9-12(10)11/h3-5,7H,2,6H2,1H3,(H2,15,17,18,19,20);3-5,9H,1-2H3,(H,10,11)