N-(4-oxidanylidene-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: N-(4-oxidanylidene-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: N-(4-oxo-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)-2,3-dihydrobenzofuran-7-carboxamide CAS Name: N-[4-oxo-2-(4-pyrimidinyl)-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: N-(4-oxo-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: N-[4-keto-2-(4-pyrimidyl)-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-10-yl]coumaran-7-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=O)C=C(N=C2C(C1)NC(=O)C3=C4C(=CC=C3)CCO4)C5=NC=NC=C5

Isomeric SMILES

C1CCN2C(=O)C=C(N=C2C(C1)NC(=O)C3=C4C(=CC=C3)CCO4)C5=NC=NC=C5

InChI

InChI=1S/C22H21N5O3/c28-19-12-18(16-7-9-23-13-24-16)25-21-17(6-1-2-10-27(19)21)26-22(29)15-5-3-4-14-8-11-30-20(14)15/h3-5,7,9,12-13,17H,1-2,6,8,10-11H2,(H,26,29)