6-azanyl-2-butylsulfinyl-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butylsulfinyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-butylsulfinyl-7H-purin-8-one CAS Name: 6-amino-2-butylsulfinyl-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-butylsulfinyl-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-butylsulfinyl-7H-purin-8-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)C1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)C1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O2S/c1-2-3-9-24(23)15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20)