[1-[3-(3,4-dihydro-2H-chromen-2-ylmethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide; ethanedioic acid

Systemtic Name: [1-[3-(3,4-dihydro-2H-chromen-2-ylmethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide; ethanedioic acid Openeye Name: [1-[3-(chroman-2-ylmethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide; oxalic acid CAS Name: [1-[3-(3,4-dihydro-2H-1-benzopyran-2-ylmethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide; oxalic acid IUPAC Name: [1-[3-(3,4-dihydro-2H-chromen-2-ylmethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide; oxalic acid Traditional Name: [1-[3-(chroman-2-ylmethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide; oxalic acid Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N(C1)CCCNCC2CCC3=CC=CC=C3O2)NC#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN=C(N(C1)CCCNCC2CCC3=CC=CC=C3O2)NC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N5O.C2H2O4/c19-14-22-18-21-10-4-12-23(18)11-3-9-20-13-16-8-7-15-5-1-2-6-17(15)24-16;3-1(4)2(5)6/h1-2,5-6,16,20H,3-4,7-13H2,(H,21,22);(H,3,4)(H,5,6)