N-(cyanomethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide

Systemtic Name: N-(cyanomethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Openeye Name: N-(cyanomethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide CAS Name: N-(cyanomethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxamide Traditional Name: N-(cyanomethyl)-4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxamide Formula: C21H17N9O3 MolecularWeight: 443.41818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC(=NC=C2C(=O)NCC#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=NC=C2C(=O)NCC#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N9O3/c22-7-8-25-20(31)17-13-28-21(29-19(17)15-3-1-14(11-23)2-4-15)26-10-9-24-18-6-5-16(12-27-18)30(32)33/h1-6,12-13H,8-10H2,(H,24,27)(H,25,31)(H,26,28,29)