N-[6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide

Systemtic Name: N-[6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCCCCC3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCCCCC3)N

InChI

InChI=1S/C21H27N5O4S/c1-2-30-15-9-7-14(8-10-15)19(28)23-17-18(22)24-21(25-20(17)29)31-13-16(27)26-11-5-3-4-6-12-26/h7-10H,2-6,11-13H2,1H3,(H,23,28)(H3,22,24,25,29)