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

Systemtic Name: 1-[4-[3,5-bis(azanyl)piperidin-1-yl]-6-[(3-methylsulfanylphenyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine Openeye Name: 1-[4-(3,5-diamino-1-piperidyl)-6-(3-methylsulfanylanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine CAS Name: 1-[4-(3,5-diamino-1-piperidinyl)-6-[3-(methylthio)anilino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine IUPAC Name: 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylsulfanylanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine Traditional Name: [4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]-[3-(methylthio)phenyl]amine Formula: C20H32N10S MolecularWeight: 444.60008

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N

InChI

InChI=1S/C20H32N10S/c1-31-17-4-2-3-16(7-17)25-18-26-19(29-8-12(21)5-13(22)9-29)28-20(27-18)30-10-14(23)6-15(24)11-30/h2-4,7,12-15H,5-6,8-11,21-24H2,1H3,(H,25,26,27,28)