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

Systemtic Name: N-[3-(7-azanyl-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloranyl-phenyl]cycloheptanecarboxamide Openeye Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]cycloheptanecarboxamide CAS Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]cycloheptanecarboxamide IUPAC Name: N-[3-(7-amino-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chlorophenyl]cycloheptanecarboxamide Traditional Name: N-[3-(7-amino-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-4-chloro-phenyl]cycloheptanecarboxamide Formula: C21H25ClN6O2 MolecularWeight: 428.9152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4CCCCCC4)Cl)N

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4CCCCCC4)Cl)N

InChI

InChI=1S/C21H25ClN6O2/c1-27-18-14(11-24-20(23)26-18)12-28(21(27)30)17-10-15(8-9-16(17)22)25-19(29)13-6-4-2-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H,25,29)(H2,23,24,26)