N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[6-amino-4-oxo-2-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrimidin-5-yl]-5-bromo-furan-2-carboxamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-piperidinyl)ethylthio]-1H-pyrimidin-5-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-(2-piperidinoethylthio)-1H-pyrimidin-5-yl]-5-bromo-2-furamide Formula: C16H20BrN5O3S MolecularWeight: 442.3307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CCN(CC1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H20BrN5O3S/c17-11-5-4-10(25-11)14(23)19-12-13(18)20-16(21-15(12)24)26-9-8-22-6-2-1-3-7-22/h4-5H,1-3,6-9H2,(H,19,23)(H3,18,20,21,24)