4-(furan-2-ylmethylamino)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(furan-2-ylmethylamino)-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(2-furylmethylamino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(2-furanylmethylamino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(furan-2-ylmethylamino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(2-furfurylamino)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCC3=CC=CO3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCC3=CC=CO3)C#N

InChI

InChI=1S/C18H16N4OS/c1-12-5-7-13(8-6-12)16-15(10-19)17(22-18(21-16)24-2)20-11-14-4-3-9-23-14/h3-9H,11H2,1-2H3,(H,20,21,22)