2-[[5-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-2-methyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-2-methyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-[(2-amino-6-chloro-pyrimidin-4-yl)amino]-2-methyl-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-[(2-amino-6-chloro-4-pyrimidinyl)amino]-2-methylphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[5-[(2-amino-6-chloro-pyrimidin-4-yl)amino]-2-methyl-benzyl]isoindoline-1,3-quinone Formula: C20H16ClN5O2 MolecularWeight: 393.82634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N)Cl)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N)Cl)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H16ClN5O2/c1-11-6-7-13(23-17-9-16(21)24-20(22)25-17)8-12(11)10-26-18(27)14-4-2-3-5-15(14)19(26)28/h2-9H,10H2,1H3,(H3,22,23,24,25)