N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-[(4-thiomorpholin-4-ylcarbonylphenyl)methyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N6-[(4-thiomorpholin-4-ylcarbonylphenyl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide CAS Name: N4-(2,3-dihydrobenzofuran-5-ylmethyl)-N6-[[4-[oxo(thiomorpholin-4-yl)methyl]phenyl]methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-(coumaran-5-ylmethyl)-N'-[4-(thiomorpholine-4-carbonyl)benzyl]pyrimidine-4,6-dicarboxamide Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC(=O)C3=NC=NC(=C3)C(=O)NCC4=CC=C(C=C4)C(=O)N5CCSCC5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC(=O)C3=NC=NC(=C3)C(=O)NCC4=CC=C(C=C4)C(=O)N5CCSCC5

InChI

InChI=1S/C27H27N5O4S/c33-25(28-15-18-1-4-20(5-2-18)27(35)32-8-11-37-12-9-32)22-14-23(31-17-30-22)26(34)29-16-19-3-6-24-21(13-19)7-10-36-24/h1-6,13-14,17H,7-12,15-16H2,(H,28,33)(H,29,34)