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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-piperidinyl)ethylthio]-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-piperidinoethylthio)-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C18H22BrN5O2S MolecularWeight: 452.36858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN5O2S/c19-13-6-4-12(5-7-13)16(25)21-14-15(20)22-18(23-17(14)26)27-11-10-24-8-2-1-3-9-24/h4-7H,1-3,8-11H2,(H,21,25)(H3,20,22,23,26)