6-azanyl-2-(2-morpholin-4-ylethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(2-morpholin-4-ylethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(2-morpholinoethylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-[2-(4-morpholinyl)ethylthio]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(2-morpholin-4-ylethylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(2-morpholinoethylthio)-7H-purin-8-one Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C18H22N6O2S/c19-15-14-16(24(18(25)20-14)12-13-4-2-1-3-5-13)22-17(21-15)27-11-8-23-6-9-26-10-7-23/h1-5H,6-12H2,(H,20,25)(H2,19,21,22)