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

Systemtic Name: N-[6-azanyl-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-[6-amino-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methoxy-benzamide CAS Name: N-[6-amino-2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCCCCC3)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCCCCC3)N

InChI

InChI=1S/C20H25N5O4S/c1-29-14-8-6-13(7-9-14)18(27)22-16-17(21)23-20(24-19(16)28)30-12-15(26)25-10-4-2-3-5-11-25/h6-9H,2-5,10-12H2,1H3,(H,22,27)(H3,21,23,24,28)