6-azanyl-9-(phenylmethyl)-2-thiomorpholin-4-ylcarbonyl-7H-purin-8-one

Systemtic Name: 6-azanyl-9-(phenylmethyl)-2-thiomorpholin-4-ylcarbonyl-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(thiomorpholine-4-carbonyl)-7H-purin-8-one CAS Name: 6-amino-2-[oxo(thiomorpholin-4-yl)methyl]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(thiomorpholine-4-carbonyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(thiomorpholine-4-carbonyl)-7H-purin-8-one Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CSCCN1C(=O)C2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C17H18N6O2S/c18-13-12-15(21-14(20-13)16(24)22-6-8-26-9-7-22)23(17(25)19-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,25)(H2,18,20,21)