N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[6-(2-methyl-1-imidazolyl)-4-pyrimidinyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-piperonylamide Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC(=NC=N2)NCCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC=CN1C2=CC(=NC=N2)NCCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N6O3/c1-12-19-6-7-24(12)17-9-16(22-10-23-17)20-4-5-21-18(25)13-2-3-14-15(8-13)27-11-26-14/h2-3,6-10H,4-5,11H2,1H3,(H,21,25)(H,20,22,23)