4-azanyl-2-[2-[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[1-(4-ethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC=C(C(=N3)N)C#N)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC=C(C(=N3)N)C#N)C

InChI

InChI=1S/C21H21N5OS/c1-4-15-5-7-17(8-6-15)26-13(2)9-18(14(26)3)19(27)12-28-21-24-11-16(10-22)20(23)25-21/h5-9,11H,4,12H2,1-3H3,(H2,23,24,25)