4,6-bis(aziridin-1-yl)-2-(4-ethoxy-3-nitro-phenyl)-5-nitro-pyrimidine

Systemtic Name: 4,6-bis(aziridin-1-yl)-2-(4-ethoxy-3-nitro-phenyl)-5-nitro-pyrimidine Openeye Name: 4,6-bis(aziridin-1-yl)-2-(4-ethoxy-3-nitro-phenyl)-5-nitro-pyrimidine CAS Name: 4,6-bis(1-aziridinyl)-2-(4-ethoxy-3-nitrophenyl)-5-nitropyrimidine IUPAC Name: 4,6-bis(aziridin-1-yl)-2-(4-ethoxy-3-nitrophenyl)-5-nitropyrimidine Traditional Name: 2-(4-ethoxy-3-nitro-phenyl)-4,6-diethylenimino-5-nitro-pyrimidine Formula: C16H16N6O5 MolecularWeight: 372.33544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=C(C(=N2)N3CC3)[N+](=O)[O-])N4CC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=C(C(=N2)N3CC3)[N+](=O)[O-])N4CC4)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O5/c1-2-27-12-4-3-10(9-11(12)21(23)24)14-17-15(19-5-6-19)13(22(25)26)16(18-14)20-7-8-20/h3-4,9H,2,5-8H2,1H3