4-azanyl-2-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]thio]pyrimidine-5-carbonitrile Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H16N6O2S/c17-6-11-8-20-16(21-14(11)18)25-9-13(23)10-5-12(19-7-10)15(24)22-3-1-2-4-22/h5,7-8,19H,1-4,9H2,(H2,18,20,21)