N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]pyrazinamide Formula: C21H24N8O2 MolecularWeight: 420.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=NC=CN=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=NC=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N8O2/c1-15(30)23-9-10-25-18-13-19(29-20(28-18)16-5-3-2-4-6-16)26-11-12-27-21(31)17-14-22-7-8-24-17/h2-8,13-14H,9-12H2,1H3,(H,23,30)(H,27,31)(H2,25,26,28,29)