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

Systemtic Name: 4-azanyl-2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]pyrimidine-5-carbonitrile Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H19N5O2S/c1-10-6-13(11(2)21(10)4-5-23-3)14(22)9-24-16-19-8-12(7-17)15(18)20-16/h6,8H,4-5,9H2,1-3H3,(H2,18,19,20)