2-azanyl-4-[2-[(3-azanyl-4-nitro-phenyl)amino]ethylamino]-6-(furan-2-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[2-[(3-azanyl-4-nitro-phenyl)amino]ethylamino]-6-(furan-2-yl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[2-(3-amino-4-nitro-anilino)ethylamino]-6-(2-furyl)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[2-(3-amino-4-nitroanilino)ethylamino]-6-(2-furanyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[2-(3-amino-4-nitroanilino)ethylamino]-6-(furan-2-yl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[2-(3-amino-4-nitro-anilino)ethylamino]-6-(2-furyl)pyrimidine-5-carbonitrile Formula: C17H16N8O3 MolecularWeight: 380.36074

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C(C(=NC(=N2)N)NCCNC3=CC(=C(C=C3)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1=COC(=C1)C2=C(C(=NC(=N2)N)NCCNC3=CC(=C(C=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C17H16N8O3/c18-9-11-15(14-2-1-7-28-14)23-17(20)24-16(11)22-6-5-21-10-3-4-13(25(26)27)12(19)8-10/h1-4,7-8,21H,5-6,19H2,(H3,20,22,23,24)