2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-chroman-6-ol CAS Name: 2-[[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2-[[4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazino]methyl]-2,5,7,8-tetramethyl-chroman-6-ol Formula: C36H52N6O9 MolecularWeight: 712.83288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(OC2=C1C)(C)CN3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)C)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=C2CCC(OC2=C1C)(C)CN3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)C)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C30H44N6O2.C6H8O7/c1-21-22(2)28-24(23(3)27(21)37)9-10-30(4,38-28)20-33-15-17-35(18-16-33)26-19-25(34-11-5-6-12-34)31-29(32-26)36-13-7-8-14-36;7-3(8)1-6(13,5(11)12)2-4(9)10/h19,37H,5-18,20H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)