N-[3-(7-azanyl-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloranyl-phenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-(7-azanyl-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloranyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]cyclohexanecarboxamide CAS Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]cyclohexanecarboxamide IUPAC Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]cyclohexanecarboxamide Traditional Name: N-[3-(7-amino-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]cyclohexanecarboxamide Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4CCCCC4)Cl)N

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4CCCCC4)Cl)N

InChI

InChI=1S/C20H23ClN6O2/c1-26-17-13(10-23-19(22)25-17)11-27(20(26)29)16-9-14(7-8-15(16)21)24-18(28)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,24,28)(H2,22,23,25)