N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H21N5O4S/c1-2-23(15(26)13-30-16-10-6-7-11-25(16)29)17-18(21)24(20(28)22-19(17)27)12-14-8-4-3-5-9-14/h3-11H,2,12-13,21H2,1H3,(H,22,27,28)