3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-morpholin-4-yl-pyrimidin-2-yl]phenol

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-morpholin-4-yl-pyrimidin-2-yl]phenol Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-morpholino-pyrimidin-2-yl]phenol CAS Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-(4-morpholinyl)-2-pyrimidinyl]phenol IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]phenol Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-morpholino-pyrimidin-2-yl]phenol Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC(=N2)C3=CC(=CC=C3)O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1COCCN1C2=CC(=NC(=N2)C3=CC(=CC=C3)O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N4O4/c27-17-3-1-2-15(12-17)22-24-20(14-21(25-22)26-6-8-28-9-7-26)23-16-4-5-18-19(13-16)30-11-10-29-18/h1-5,12-14,27H,6-11H2,(H,23,24,25)