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

Systemtic Name: N2-(3-chloranyl-4-methoxy-phenyl)-N2-methyl-N4-(1-methylpiperidin-4-yl)-N6-prop-2-enyl-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-allyl-N2-(3-chloro-4-methoxy-phenyl)-N2-methyl-N4-(1-methyl-4-piperidyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-(3-chloro-4-methoxyphenyl)-N2-methyl-N4-(1-methyl-4-piperidinyl)-N6-prop-2-enyl-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-(3-chloro-4-methoxyphenyl)-2-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(allylamino)-6-[(1-methyl-4-piperidyl)amino]-s-triazin-2-yl]-(3-chloro-4-methoxy-phenyl)-methyl-amine Formula: C20H28ClN7O MolecularWeight: 417.93562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2=NC(=NC(=N2)N(C)C3=CC(=C(C=C3)OC)Cl)NCC=C

Isomeric SMILES

CN1CCC(CC1)NC2=NC(=NC(=N2)N(C)C3=CC(=C(C=C3)OC)Cl)NCC=C

InChI

InChI=1S/C20H28ClN7O/c1-5-10-22-18-24-19(23-14-8-11-27(2)12-9-14)26-20(25-18)28(3)15-6-7-17(29-4)16(21)13-15/h5-7,13-14H,1,8-12H2,2-4H3,(H2,22,23,24,25,26)