4-azanyl-5-chloranyl-2-methoxy-N-(4-oxidanylidene-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-(4-oxidanylidene-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide Openeye Name: 4-amino-5-chloro-2-methoxy-N-(4-oxo-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide CAS Name: 4-amino-5-chloro-2-methoxy-N-[4-oxo-2-(4-pyrimidinyl)-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl]benzamide IUPAC Name: 4-amino-5-chloro-2-methoxy-N-(4-oxo-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)benzamide Traditional Name: 4-amino-5-chloro-N-[4-keto-2-(4-pyrimidyl)-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-10-yl]-2-methoxy-benzamide Formula: C21H21ClN6O3 MolecularWeight: 440.88284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCCCN3C2=NC(=CC3=O)C4=NC=NC=C4)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCCCN3C2=NC(=CC3=O)C4=NC=NC=C4)Cl)N

InChI

InChI=1S/C21H21ClN6O3/c1-31-18-9-14(23)13(22)8-12(18)21(30)27-16-4-2-3-7-28-19(29)10-17(26-20(16)28)15-5-6-24-11-25-15/h5-6,8-11,16H,2-4,7,23H2,1H3,(H,27,30)