1-[4-[[4-[bis(2-azanylethyl)amino]-6-[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[4-[bis(2-azanylethyl)amino]-6-[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[4-[bis(2-aminoethyl)amino]-6-(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[4-[bis(2-aminoethyl)amino]-6-(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[4-[bis(2-aminoethyl)amino]-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[4-[bis(2-aminoethyl)amino]-6-(3,5-diaminopiperidino)-s-triazin-2-yl]amino]phenyl]ethanone Formula: C20H32N10O MolecularWeight: 428.53448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N(CCN)CCN

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N(CCN)CCN

InChI

InChI=1S/C20H32N10O/c1-13(31)14-2-4-17(5-3-14)25-18-26-19(29(8-6-21)9-7-22)28-20(27-18)30-11-15(23)10-16(24)12-30/h2-5,15-16H,6-12,21-24H2,1H3,(H,25,26,27,28)