N4-(azepan-1-yl)-N6-(3-chloranyl-4-methoxy-phenyl)-N2-methyl-N2-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4-(azepan-1-yl)-N6-(3-chloranyl-4-methoxy-phenyl)-N2-methyl-N2-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-(azepan-1-yl)-N6-(3-chloro-4-methoxy-phenyl)-N2-methyl-N2-(4-piperidyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4-(1-azepanyl)-N6-(3-chloro-4-methoxyphenyl)-N2-methyl-N2-(4-piperidinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-(azepan-1-yl)-6-N-(3-chloro-4-methoxyphenyl)-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(azepan-1-ylamino)-6-(3-chloro-4-methoxy-anilino)-s-triazin-2-yl]-methyl-(4-piperidyl)amine Formula: C22H33ClN8O MolecularWeight: 461.00342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCNCC1)C2=NC(=NC(=N2)NN3CCCCCC3)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN(C1CCNCC1)C2=NC(=NC(=N2)NN3CCCCCC3)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C22H33ClN8O/c1-30(17-9-11-24-12-10-17)22-27-20(25-16-7-8-19(32-2)18(23)15-16)26-21(28-22)29-31-13-5-3-4-6-14-31/h7-8,15,17,24H,3-6,9-14H2,1-2H3,(H2,25,26,27,28,29)