(5E)-1-methyl-3-[4-[1-[2-(methylamino)ethyl]-3-oxidanylidene-aziridin-2-yl]butyl]-5-[(E,4E)-4-[3-methyl-5-(trioxidanylsulfanyl)-1,3-benzoxazol-2-ylidene]but-2-enylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-1-methyl-3-[4-[1-[2-(methylamino)ethyl]-3-oxidanylidene-aziridin-2-yl]butyl]-5-[(E,4E)-4-[3-methyl-5-(trioxidanylsulfanyl)-1,3-benzoxazol-2-ylidene]but-2-enylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-methyl-3-[4-[1-[2-(methylamino)ethyl]-3-oxo-aziridin-2-yl]butyl]-5-[(E,4E)-4-[3-methyl-5-(trioxidanylsulfanyl)-1,3-benzoxazol-2-ylidene]but-2-enylidene]hexahydropyrimidine-2,4,6-trione CAS Name: (2E)-3-methyl-2-[(E,4E)-4-[1-methyl-3-[4-[1-[2-(methylamino)ethyl]-3-oxo-2-aziridinyl]butyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]but-2-enylidene]-1,3-benzoxazole-5-sulfenic acid hydroperoxy ester IUPAC Name: (5E)-1-methyl-3-[4-[1-[2-(methylamino)ethyl]-3-oxoaziridin-2-yl]butyl]-5-[(E,4E)-4-[3-methyl-5-(trioxidanylsulfanyl)-1,3-benzoxazol-2-ylidene]but-2-enylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-[4-[3-keto-1-[2-(methylamino)ethyl]ethylenimin-2-yl]butyl]-3-methyl-5-[(E,4E)-4-[3-methyl-5-(trioxidanylthio)-1,3-benzoxazol-2-ylidene]but-2-enylidene]barbituric acid Formula: C26H31N5O8S MolecularWeight: 573.61804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCN1C(C1=O)CCCCN2C(=O)C(=CC=CC=C3N(C4=C(O3)C=CC(=C4)SOOO)C)C(=O)N(C2=O)C

Isomeric SMILES

CNCCN1C(C1=O)CCCCN2C(=O)/C(=C/C=C/C=C/3\N(C4=C(O3)C=CC(=C4)SOOO)C)/C(=O)N(C2=O)C

InChI

InChI=1S/C26H31N5O8S/c1-27-13-15-30-19(25(30)34)9-6-7-14-31-24(33)18(23(32)29(3)26(31)35)8-4-5-10-22-28(2)20-16-17(40-39-38-36)11-12-21(20)37-22/h4-5,8,10-12,16,19,27,36H,6-7,9,13-15H2,1-3H3/b5-4+,18-8+,22-10+