1-[3-[2-azanyl-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenyl]ethanone

Systemtic Name: 1-[3-[2-azanyl-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenyl]ethanone Openeye Name: 1-[3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenyl]ethanone CAS Name: 1-[3-[2-amino-6-[3-(methylamino)-1-pyrrolidinyl]-4-pyrimidinyl]phenyl]ethanone IUPAC Name: 1-[3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenyl]ethanone Traditional Name: 1-[3-[2-amino-6-[3-(methylamino)pyrrolidino]pyrimidin-4-yl]phenyl]ethanone Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=CC(=NC(=N2)N)N3CCC(C3)NC

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=CC(=NC(=N2)N)N3CCC(C3)NC

InChI

InChI=1S/C17H21N5O/c1-11(23)12-4-3-5-13(8-12)15-9-16(21-17(18)20-15)22-7-6-14(10-22)19-2/h3-5,8-9,14,19H,6-7,10H2,1-2H3,(H2,18,20,21)