5-[3-(4-chlorophenyl)-3-piperidin-1-yl-prop-1-ynyl]-6-methyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[3-(4-chlorophenyl)-3-piperidin-1-yl-prop-1-ynyl]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-(4-chlorophenyl)-3-(1-piperidyl)prop-1-ynyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[3-(4-chlorophenyl)-3-(1-piperidinyl)prop-1-ynyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[3-(4-chlorophenyl)-3-piperidin-1-ylprop-1-ynyl]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(4-chlorophenyl)-3-piperidino-prop-1-ynyl]-6-methyl-pyrimidin-4-yl]amine Formula: C19H22ClN5 MolecularWeight: 355.86448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C#CC(C2=CC=C(C=C2)Cl)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C#CC(C2=CC=C(C=C2)Cl)N3CCCCC3

InChI

InChI=1S/C19H22ClN5/c1-13-16(18(21)24-19(22)23-13)9-10-17(25-11-3-2-4-12-25)14-5-7-15(20)8-6-14/h5-8,17H,2-4,11-12H2,1H3,(H4,21,22,23,24)