4,6-bis(aziridin-1-yl)-2-(4-chlorophenyl)-5-nitro-pyrimidine

Systemtic Name: 4,6-bis(aziridin-1-yl)-2-(4-chlorophenyl)-5-nitro-pyrimidine Openeye Name: 4,6-bis(aziridin-1-yl)-2-(4-chlorophenyl)-5-nitro-pyrimidine CAS Name: 4,6-bis(1-aziridinyl)-2-(4-chlorophenyl)-5-nitropyrimidine IUPAC Name: 4,6-bis(aziridin-1-yl)-2-(4-chlorophenyl)-5-nitropyrimidine Traditional Name: 2-(4-chlorophenyl)-4,6-diethylenimino-5-nitro-pyrimidine Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)Cl)N4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)Cl)N4CC4)[N+](=O)[O-]

InChI

InChI=1S/C14H12ClN5O2/c15-10-3-1-9(2-4-10)12-16-13(18-5-6-18)11(20(21)22)14(17-12)19-7-8-19/h1-4H,5-8H2