1-[4-[3,5-bis(azanyl)piperidin-1-yl]-6-[(2-methyl-4-nitro-phenyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine

Systemtic Name: 1-[4-[3,5-bis(azanyl)piperidin-1-yl]-6-[(2-methyl-4-nitro-phenyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine Openeye Name: 1-[4-(3,5-diamino-1-piperidyl)-6-(2-methyl-4-nitro-anilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine CAS Name: 1-[4-(3,5-diamino-1-piperidinyl)-6-(2-methyl-4-nitroanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine IUPAC Name: 1-[4-(3,5-diaminopiperidin-1-yl)-6-(2-methyl-4-nitroanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine Traditional Name: [4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]-(2-methyl-4-nitro-phenyl)amine Formula: C20H31N11O2 MolecularWeight: 457.53264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N

InChI

InChI=1S/C20H31N11O2/c1-11-4-16(31(32)33)2-3-17(11)25-18-26-19(29-7-12(21)5-13(22)8-29)28-20(27-18)30-9-14(23)6-15(24)10-30/h2-4,12-15H,5-10,21-24H2,1H3,(H,25,26,27,28)