6-azanyl-2-[(3-methoxyphenyl)methylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-[(3-methoxyphenyl)methylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]-7H-purin-8-one CAS Name: 6-amino-2-[(3-methoxyphenyl)methylthio]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(m-anisylthio)-7H-purin-8-one Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2S/c1-27-15-9-5-8-14(10-15)12-28-19-23-17(21)16-18(24-19)25(20(26)22-16)11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,22,26)(H2,21,23,24)