2-[[3-(2-azanylpyrimidin-4-yl)oxypropylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid

Systemtic Name: 2-[[3-(2-azanylpyrimidin-4-yl)oxypropylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid Openeye Name: 2-[[3-(2-aminopyrimidin-4-yl)oxypropylamino]methyl]chroman-7-ol; oxalic acid CAS Name: 2-[[3-[(2-amino-4-pyrimidinyl)oxy]propylamino]methyl]-3,4-dihydro-2H-1-benzopyran-7-ol; oxalic acid IUPAC Name: 2-[[3-(2-aminopyrimidin-4-yl)oxypropylamino]methyl]-3,4-dihydro-2H-chromen-7-ol; oxalic acid Traditional Name: 2-[[3-(2-aminopyrimidin-4-yl)oxypropylamino]methyl]chroman-7-ol; oxalic acid Formula: C19H24N4O7 MolecularWeight: 420.41646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)O)OC1CNCCCOC3=NC(=NC=C3)N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)O)OC1CNCCCOC3=NC(=NC=C3)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N4O3.C2H2O4/c18-17-20-8-6-16(21-17)23-9-1-7-19-11-14-5-3-12-2-4-13(22)10-15(12)24-14;3-1(4)2(5)6/h2,4,6,8,10,14,19,22H,1,3,5,7,9,11H2,(H2,18,20,21);(H,3,4)(H,5,6)