N-[(E)-(2-azanyl-4-methoxy-6-pyrrolidin-1-yl-pyrimidin-5-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(E)-(2-azanyl-4-methoxy-6-pyrrolidin-1-yl-pyrimidin-5-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(E)-(2-amino-4-methoxy-6-pyrrolidin-1-yl-pyrimidin-5-yl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(E)-[2-amino-4-methoxy-6-(1-pyrrolidinyl)-5-pyrimidinyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(E)-(2-amino-4-methoxy-6-pyrrolidin-1-ylpyrimidin-5-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(E)-(2-amino-4-methoxy-6-pyrrolidino-pyrimidin-5-yl)methyleneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1C=NNC(=O)C2COC3=CC=CC=C3O2)N4CCCC4)N

Isomeric SMILES

COC1=NC(=NC(=C1/C=N/NC(=O)C2COC3=CC=CC=C3O2)N4CCCC4)N

InChI

InChI=1S/C19H22N6O4/c1-27-18-12(16(22-19(20)23-18)25-8-4-5-9-25)10-21-24-17(26)15-11-28-13-6-2-3-7-14(13)29-15/h2-3,6-7,10,15H,4-5,8-9,11H2,1H3,(H,24,26)(H2,20,22,23)/b21-10+