3-[2-cyanoethyl-[6-[(3,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[6-[(3,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(3,4-dichloroanilino)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C16H13Cl2N7O2 MolecularWeight: 406.22612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C16H13Cl2N7O2/c17-12-4-3-11(9-13(12)18)23-15-14(25(26)27)16(22-10-21-15)24(7-1-5-19)8-2-6-20/h3-4,9-10H,1-2,7-8H2,(H,21,22,23)