N-[[5-chloranyl-2-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-phenyl]methylideneamino]-N-methyl-methanamine

Systemtic Name: N-[[5-chloranyl-2-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-phenyl]methylideneamino]-N-methyl-methanamine Openeye Name: N-[[5-chloro-2-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-phenyl]methyleneamino]-N-methyl-methanamine CAS Name: N-[[5-chloro-2-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]oxy]phenyl]methylideneamino]-N-methylmethanamine IUPAC Name: N-[[5-chloro-2-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylideneamino]-N-methylmethanamine Traditional Name: [[5-chloro-2-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-benzylidene]amino]-dimethyl-amine Formula: C18H22ClN7O3 MolecularWeight: 419.86538

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=C(C=C(C=C3)Cl)C=NN(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)OC3=C(C=C(C=C3)Cl)C=NN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN7O3/c1-23(2)22-11-13-10-14(19)4-5-15(13)29-18-16(26(27)28)17(20-12-21-18)25-8-6-24(3)7-9-25/h4-5,10-12H,6-9H2,1-3H3