N2-butyl-N6-(3-chloranyl-4-methoxy-phenyl)-N4-(1-methylpiperidin-4-yl)-N2-propyl-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-butyl-N6-(3-chloranyl-4-methoxy-phenyl)-N4-(1-methylpiperidin-4-yl)-N2-propyl-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-butyl-N6-(3-chloro-4-methoxy-phenyl)-N4-(1-methyl-4-piperidyl)-N2-propyl-1,3,5-triazine-2,4,6-triamine CAS Name: N2-butyl-N6-(3-chloro-4-methoxyphenyl)-N4-(1-methyl-4-piperidinyl)-N2-propyl-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-butyl-6-N-(3-chloro-4-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-2-N-propyl-1,3,5-triazine-2,4,6-triamine Traditional Name: butyl-[4-(3-chloro-4-methoxy-anilino)-6-[(1-methyl-4-piperidyl)amino]-s-triazin-2-yl]-propyl-amine Formula: C23H36ClN7O MolecularWeight: 462.03124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC)C1=NC(=NC(=N1)NC2CCN(CC2)C)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCCCN(CCC)C1=NC(=NC(=N1)NC2CCN(CC2)C)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C23H36ClN7O/c1-5-7-13-31(12-6-2)23-28-21(25-17-10-14-30(3)15-11-17)27-22(29-23)26-18-8-9-20(32-4)19(24)16-18/h8-9,16-17H,5-7,10-15H2,1-4H3,(H2,25,26,27,28,29)