2,5-bis(aziridin-1-yl)-3,6-bis(butylamino)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(aziridin-1-yl)-3,6-bis(butylamino)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis(aziridin-1-yl)-3,6-bis(butylamino)-1,4-benzoquinone CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(butylamino)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(butylamino)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-bis(butylamino)-3,6-diethylenimino-p-benzoquinone Formula: C18H28N4O2 MolecularWeight: 332.44052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)C(=C(C1=O)N2CC2)NCCCC)N3CC3

Isomeric SMILES

CCCCNC1=C(C(=O)C(=C(C1=O)N2CC2)NCCCC)N3CC3

InChI

InChI=1S/C18H28N4O2/c1-3-5-7-19-13-15(21-9-10-21)18(24)14(20-8-6-4-2)16(17(13)23)22-11-12-22/h19-20H,3-12H2,1-2H3