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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-propyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-propyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-propylacetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-propylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-propyl-acetamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S/c1-2-11-24(16(27)14-31-17-10-6-7-12-26(17)30)18-19(22)25(21(29)23-20(18)28)13-15-8-4-3-5-9-15/h3-10,12H,2,11,13-14,22H2,1H3,(H,23,28,29)