N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C21H22N6O3S2 MolecularWeight: 470.56778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N6O3S2/c22-18-17(23-19(29)15-7-4-12-31-15)20(30)25-21(24-18)32-13-16(28)27-10-8-26(9-11-27)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,23,29)(H3,22,24,25,30)