4-(3,4-dichlorophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carbonitrile

Systemtic Name: 4-(3,4-dichlorophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carbonitrile Openeye Name: 4-(3,4-dichlorophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carbonitrile CAS Name: 4-(3,4-dichlorophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarbonitrile IUPAC Name: 4-(3,4-dichlorophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carbonitrile Traditional Name: 4-(3,4-dichlorophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carbonitrile Formula: C18H13Cl2N7O2 MolecularWeight: 430.24752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NC(=NC=C2C#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=NC(=NC=C2C#N)NCCNC3=NC=C(C=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C18H13Cl2N7O2/c19-14-3-1-11(7-15(14)20)17-12(8-21)9-25-18(26-17)23-6-5-22-16-4-2-13(10-24-16)27(28)29/h1-4,7,9-10H,5-6H2,(H,22,24)(H,23,25,26)