2,2-dimethyl-N-[(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)methyl]-3H-1-benzofuran-7-carboxamide

Systemtic Name: 2,2-dimethyl-N-[(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)methyl]-3H-1-benzofuran-7-carboxamide Openeye Name: 2,2-dimethyl-N-[(1-methyl-6-oxo-4-pyrimidin-4-yl-pyrimidin-2-yl)methyl]-3H-benzofuran-7-carboxamide CAS Name: 2,2-dimethyl-N-[[1-methyl-6-oxo-4-(4-pyrimidinyl)-2-pyrimidinyl]methyl]-3H-benzofuran-7-carboxamide IUPAC Name: 2,2-dimethyl-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]-3H-1-benzofuran-7-carboxamide Traditional Name: N-[[6-keto-1-methyl-4-(4-pyrimidyl)pyrimidin-2-yl]methyl]-2,2-dimethyl-coumaran-7-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC(=C2O1)C(=O)NCC3=NC(=CC(=O)N3C)C4=NC=NC=C4)C

Isomeric SMILES

CC1(CC2=CC=CC(=C2O1)C(=O)NCC3=NC(=CC(=O)N3C)C4=NC=NC=C4)C

InChI

InChI=1S/C21H21N5O3/c1-21(2)10-13-5-4-6-14(19(13)29-21)20(28)23-11-17-25-16(9-18(27)26(17)3)15-7-8-22-12-24-15/h4-9,12H,10-11H2,1-3H3,(H,23,28)