2-[[4-azanyl-2,6-bis(phenylmethylsulfanyl)pyrimidin-5-yl]amino]ethanenitrile

Systemtic Name: 2-[[4-azanyl-2,6-bis(phenylmethylsulfanyl)pyrimidin-5-yl]amino]ethanenitrile Openeye Name: 2-[[4-amino-2,6-bis(benzylsulfanyl)pyrimidin-5-yl]amino]acetonitrile CAS Name: 2-[[4-amino-2,6-bis(phenylmethylthio)-5-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[[4-amino-2,6-bis(benzylsulfanyl)pyrimidin-5-yl]amino]acetonitrile Traditional Name: 2-[[4-amino-2,6-bis(benzylthio)pyrimidin-5-yl]amino]acetonitrile Formula: C20H19N5S2 MolecularWeight: 393.52836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC(=C2NCC#N)N)SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC(=C2NCC#N)N)SCC3=CC=CC=C3

InChI

InChI=1S/C20H19N5S2/c21-11-12-23-17-18(22)24-20(27-14-16-9-5-2-6-10-16)25-19(17)26-13-15-7-3-1-4-8-15/h1-10,23H,12-14H2,(H2,22,24,25)