8-azanyl-2-(5-methyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)benzene

Systemtic Name: 8-azanyl-2-(5-methyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)benzene Openeye Name: 8-amino-2-(5-methyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)benzene CAS Name: 8-amino-2-(5-methyl-2-propoxyphenyl)-6-purinone; (sulfinoamino)benzene IUPAC Name: 8-amino-2-(5-methyl-2-propoxyphenyl)purin-6-one; (sulfinoamino)benzene Traditional Name: 8-amino-2-(5-methyl-2-propoxy-phenyl)purin-6-one; (sulfinoamino)benzene Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O2.C6H7NO2S/c1-3-6-22-10-5-4-8(2)7-9(10)12-18-13-11(14(21)19-12)17-15(16)20-13;8-10(9)7-6-4-2-1-3-5-6/h4-5,7H,3,6H2,1-2H3,(H2,16,18,19,20,21);1-5,7H,(H,8,9)