6-azanyl-5-[bis(phenylmethyl)amino]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-[bis(phenylmethyl)amino]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-amino-2-benzylsulfanyl-5-(dibenzylamino)-1H-pyrimidin-4-one CAS Name: 6-amino-5-[bis(phenylmethyl)amino]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-benzylsulfanyl-5-(dibenzylamino)-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(benzylthio)-5-(dibenzylamino)-1H-pyrimidin-4-one Formula: C25H24N4OS MolecularWeight: 428.54926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(NC(=NC3=O)SCC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(NC(=NC3=O)SCC4=CC=CC=C4)N

InChI

InChI=1S/C25H24N4OS/c26-23-22(24(30)28-25(27-23)31-18-21-14-8-3-9-15-21)29(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15H,16-18H2,(H3,26,27,28,30)