1-ethyl-2,4-bis(oxidanylidene)-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]pyrimidine-5-carbonitrile

Systemtic Name: 1-ethyl-2,4-bis(oxidanylidene)-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]pyrimidine-5-carbonitrile Openeye Name: 1-ethyl-2,4-dioxo-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyrimidine-5-carbonitrile CAS Name: 1-ethyl-2,4-dioxo-3-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-5-pyrimidinecarbonitrile IUPAC Name: 1-ethyl-2,4-dioxo-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyrimidine-5-carbonitrile Traditional Name: 1-ethyl-2,4-diketo-3-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]pyrimidine-5-carbonitrile Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C#N

InChI

InChI=1S/C18H19N5O4S/c1-2-20-11-13(10-19)16(25)23(18(20)27)12-15(24)21-5-7-22(8-6-21)17(26)14-4-3-9-28-14/h3-4,9,11H,2,5-8,12H2,1H3