ethyl 4-[4-(diethylamino)phenyl]-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate; N-[4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]phenyl]-3-phenyl-propanamide

Systemtic Name: ethyl 4-[4-(diethylamino)phenyl]-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate; N-[4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]phenyl]-3-phenyl-propanamide Openeye Name: ethyl 4-[4-(diethylamino)phenyl]-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate; N-[4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]phenyl]-3-phenyl-propanamide CAS Name: 4-[4-(diethylamino)phenyl]-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester; N-[4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]phenyl]-3-phenylpropanamide IUPAC Name: ethyl 4-[4-(diethylamino)phenyl]-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate; N-[4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]phenyl]-3-phenylpropanamide Traditional Name: 4-[4-(diethylamino)phenyl]-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester; N-[4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]phenyl]-3-phenyl-propionamide Formula: C50H54N14O7 MolecularWeight: 963.05336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)OCC)NCCNC3=NC=C(C=C3)[N+](=O)[O-].C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)OCC)NCCNC3=NC=C(C=C3)[N+](=O)[O-].C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N7O3.C24H29N7O4/c34-25(13-6-19-4-2-1-3-5-19)31-21-9-7-20(8-10-21)23-14-15-28-26(32-23)29-17-16-27-24-12-11-22(18-30-24)33(35)36;1-4-30(5-2)18-9-7-17(8-10-18)22-20(23(32)35-6-3)16-28-24(29-22)26-14-13-25-21-12-11-19(15-27-21)31(33)34/h1-5,7-12,14-15,18H,6,13,16-17H2,(H,27,30)(H,31,34)(H,28,29,32);7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,27)(H,26,28,29)