N2-(4-chlorophenyl)-N4-ethyl-6-methyl-N4-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-ethyl-6-methyl-N4-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]pyrimidine-2,4-diamine Openeye Name: N4-[(3S)-1-benzylpyrrolidin-3-yl]-N2-(4-chlorophenyl)-N4-ethyl-6-methyl-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-ethyl-6-methyl-N4-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-[(3S)-1-benzylpyrrolidin-3-yl]-2-N-(4-chlorophenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine Traditional Name: [(3S)-1-benzylpyrrolidin-3-yl]-[2-(4-chloroanilino)-6-methyl-pyrimidin-4-yl]-ethyl-amine Formula: C24H28ClN5 MolecularWeight: 421.96562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)CC2=CC=CC=C2)C3=NC(=NC(=C3)C)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN([C@H]1CCN(C1)CC2=CC=CC=C2)C3=NC(=NC(=C3)C)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClN5/c1-3-30(22-13-14-29(17-22)16-19-7-5-4-6-8-19)23-15-18(2)26-24(28-23)27-21-11-9-20(25)10-12-21/h4-12,15,22H,3,13-14,16-17H2,1-2H3,(H,26,27,28)/t22-/m0/s1