1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]urea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]urea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]urea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-methoxy-2-methyl-4-pyrimidinyl)amino]phenyl]urea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]urea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]urea Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OC)NC2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NC(=CC(=N1)OC)NC2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N5O4/c1-13-22-19(12-20(23-13)28-2)24-14-3-5-15(6-4-14)25-21(27)26-16-7-8-17-18(11-16)30-10-9-29-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,23,24)(H2,25,26,27)