ethyl 5-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC=C(C(=N2)N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC=C(C(=N2)N)C#N)C

InChI

InChI=1S/C17H19N5O3S/c1-5-25-16(24)12-8(2)13(21-9(12)3)14(23)10(4)26-17-20-7-11(6-18)15(19)22-17/h7,10,21H,5H2,1-4H3,(H2,19,20,22)