N4-cyclopropyl-N2-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: cyclopropyl-[2-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H25N6O3+ MolecularWeight: 385.4402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C19H24N6O3/c26-25(27)17-12-20-19(23-18(17)21-15-6-7-15)22-16(14-4-2-1-3-5-14)13-24-8-10-28-11-9-24/h1-5,12,15-16H,6-11,13H2,(H2,20,21,22,23)/p+1/t16-/m1/s1