N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H19N3O4S/c1-12-17(20(28-2)23-18(21-12)15-5-3-8-26-15)19(24)22-13-6-7-14-16(11-13)27-10-4-9-25-14/h3,5-8,11H,4,9-10H2,1-2H3,(H,22,24)