2-ethyl-9-(phenylmethyl)-8-(phenylmethyl)sulfonyl-3H-purin-6-one

Systemtic Name: 2-ethyl-9-(phenylmethyl)-8-(phenylmethyl)sulfonyl-3H-purin-6-one Openeye Name: 9-benzyl-8-benzylsulfonyl-2-ethyl-3H-purin-6-one CAS Name: 2-ethyl-9-(phenylmethyl)-8-(phenylmethyl)sulfonyl-3H-purin-6-one IUPAC Name: 9-benzyl-8-benzylsulfonyl-2-ethyl-3H-purin-6-one Traditional Name: 9-benzyl-8-benzylsulfonyl-2-ethyl-3H-purin-6-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N(C(=N2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N(C(=N2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-2-17-22-19-18(20(26)23-17)24-21(25(19)13-15-9-5-3-6-10-15)29(27,28)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,22,23,26)