1-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-3-(2,2-diphenylethyl)urea

Systemtic Name: 1-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-3-(2,2-diphenylethyl)urea Openeye Name: 1-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-3-(2,2-diphenylethyl)urea CAS Name: 1-[4,6-bis(methylthio)-5-pyrimidinyl]-3-(2,2-diphenylethyl)urea IUPAC Name: 1-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-3-(2,2-diphenylethyl)urea Traditional Name: 1-[4,6-bis(methylthio)pyrimidin-5-yl]-3-(2,2-diphenylethyl)urea Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC=N1)SC)NC(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=C(C(=NC=N1)SC)NC(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS2/c1-27-19-18(20(28-2)24-14-23-19)25-21(26)22-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H2,22,25,26)