4-azanyl-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methylthio]pyrimidine-5-carbonitrile Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H18N6OS/c1-18(2,3)13-6-4-11(5-7-13)16-24-23-14(25-16)10-26-17-21-9-12(8-19)15(20)22-17/h4-7,9H,10H2,1-3H3,(H2,20,21,22)