4-azanyl-2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C17H18N4OS/c1-17(2,3)13-6-4-11(5-7-13)14(22)10-23-16-20-9-12(8-18)15(19)21-16/h4-7,9H,10H2,1-3H3,(H2,19,20,21)