N-[4-[[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C19H18N6O3/c1-11(26)23-12-2-4-13(5-3-12)24-18-17(20)19(22-9-21-18)25-14-6-7-15-16(8-14)28-10-27-15/h2-9H,10,20H2,1H3,(H,23,26)(H2,21,22,24,25)