4-azanyl-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-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-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-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-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-N-[4-keto-2-(4-pyrimidyl)-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-10-yl]-2-methoxy-benzamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N)C(=O)NC2CCCCN3C2=NC(=CC3=O)C4=NC=NC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)N)C(=O)NC2CCCCN3C2=NC(=CC3=O)C4=NC=NC=C4

InChI

InChI=1S/C21H22N6O3/c1-30-18-10-13(22)5-6-14(18)21(29)26-16-4-2-3-9-27-19(28)11-17(25-20(16)27)15-7-8-23-12-24-15/h5-8,10-12,16H,2-4,9,22H2,1H3,(H,26,29)