2-azanyl-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4,6-bis[2-(2-pyridyl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 2-amino-4,6-bis[2-(2-pyridinyl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4,6-bis[2-(2-pyridyl)ethylthio]pyrimidine-5-carbonitrile Formula: C19H18N6S2 MolecularWeight: 394.51642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSC2=C(C(=NC(=N2)N)SCCC3=CC=CC=N3)C#N

Isomeric SMILES

C1=CC=NC(=C1)CCSC2=C(C(=NC(=N2)N)SCCC3=CC=CC=N3)C#N

InChI

InChI=1S/C19H18N6S2/c20-13-16-17(26-11-7-14-5-1-3-9-22-14)24-19(21)25-18(16)27-12-8-15-6-2-4-10-23-15/h1-6,9-10H,7-8,11-12H2,(H2,21,24,25)