N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-6-methyl-2,3-dihydro-1,4-oxathiin-5-carboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-6-methyl-2,3-dihydro-1,4-oxathiin-5-carboxamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCO1)C(=O)NCCNC2=CC(=NC(=N2)C3=CC=CC=C3)NCCNC(=O)C

Isomeric SMILES

CC1=C(SCCO1)C(=O)NCCNC2=CC(=NC(=N2)C3=CC=CC=C3)NCCNC(=O)C

InChI

InChI=1S/C22H28N6O3S/c1-15-20(32-13-12-31-15)22(30)26-11-10-25-19-14-18(24-9-8-23-16(2)29)27-21(28-19)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3,(H,23,29)(H,26,30)(H2,24,25,27,28)