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

Systemtic Name: 1-[4-[[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O3/c1-11(25)12-2-4-13(5-3-12)23-18-17(20)19(22-9-21-18)24-14-6-7-15-16(8-14)27-10-26-15/h2-9H,10,20H2,1H3,(H2,21,22,23,24)