4,6-dimethyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]pyrimidin-2-amine

Systemtic Name: 4,6-dimethyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]pyrimidin-2-amine Openeye Name: 4,6-dimethyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]pyrimidin-2-amine CAS Name: 4,6-dimethyl-N-[(Z)-1-[4-(1-piperazin-4-iumylsulfonyl)phenyl]ethylideneamino]-2-pyrimidinamine IUPAC Name: 4,6-dimethyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]pyrimidin-2-amine Traditional Name: (4,6-dimethylpyrimidin-2-yl)-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]amine Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NN=C(C)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/N=C(/C)\C2=CC=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C18H24N6O2S/c1-13-12-14(2)21-18(20-13)23-22-15(3)16-4-6-17(7-5-16)27(25,26)24-10-8-19-9-11-24/h4-7,12,19H,8-11H2,1-3H3,(H,20,21,23)/p+1/b22-15-