N-[4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]-3-oxidanyl-propanamide

Systemtic Name: N-[4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]-3-oxidanyl-propanamide Openeye Name: N-[4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-5-yl]-3-hydroxy-propanamide CAS Name: N-[4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinyl]-3-hydroxypropanamide IUPAC Name: N-[4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]-3-hydroxypropanamide Traditional Name: N-[4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-5-yl]-3-hydroxy-propionamide Formula: C21H20N8O4 MolecularWeight: 448.4347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC(=NC=C2NC(=O)CCO)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=NC=C2NC(=O)CCO)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N8O4/c22-11-14-1-3-15(4-2-14)20-17(27-19(31)7-10-30)13-26-21(28-20)24-9-8-23-18-6-5-16(12-25-18)29(32)33/h1-6,12-13,30H,7-10H2,(H,23,25)(H,27,31)(H,24,26,28)