N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyrimidin-4-yl-propane-1,3-diamine; ethanedioic acid

Systemtic Name: N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyrimidin-4-yl-propane-1,3-diamine; ethanedioic acid Openeye Name: N-(chroman-2-ylmethyl)-N'-pyrimidin-4-yl-propane-1,3-diamine; oxalic acid CAS Name: N-(3,4-dihydro-2H-1-benzopyran-2-ylmethyl)-N'-(4-pyrimidinyl)propane-1,3-diamine; oxalic acid IUPAC Name: N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyrimidin-4-ylpropane-1,3-diamine; oxalic acid Traditional Name: chroman-2-ylmethyl-[3-(4-pyrimidylamino)propyl]amine; oxalic acid Formula: C21H26N4O9 MolecularWeight: 478.45254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2OC1CNCCCNC3=NC=NC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=CC=CC=C2OC1CNCCCNC3=NC=NC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N4O.2C2H2O4/c1-2-5-16-14(4-1)6-7-15(22-16)12-18-9-3-10-20-17-8-11-19-13-21-17;2*3-1(4)2(5)6/h1-2,4-5,8,11,13,15,18H,3,6-7,9-10,12H2,(H,19,20,21);2*(H,3,4)(H,5,6)