6-[(4-tert-butylphenyl)methylsulfanyl]-3,7-dihydropurin-2-one

Systemtic Name: 6-[(4-tert-butylphenyl)methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-[(4-tert-butylphenyl)methylsulfanyl]-3,7-dihydropurin-2-one CAS Name: 6-[(4-tert-butylphenyl)methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[(4-tert-butylphenyl)methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[(4-tert-butylbenzyl)thio]-3,7-dihydropurin-2-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=O)NC3=C2NC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=O)NC3=C2NC=N3

InChI

InChI=1S/C16H18N4OS/c1-16(2,3)11-6-4-10(5-7-11)8-22-14-12-13(18-9-17-12)19-15(21)20-14/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20,21)