4-azanyl-2-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C17H18N4OS/c1-3-11-5-6-12(4-2)14(7-11)15(22)10-23-17-20-9-13(8-18)16(19)21-17/h5-7,9H,3-4,10H2,1-2H3,(H2,19,20,21)