2-[4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]phenyl]ethanenitrile Openeye Name: 2-[4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]phenyl]acetonitrile CAS Name: 2-[4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-2-pyrimidinyl]amino]phenyl]acetonitrile IUPAC Name: 2-[4-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]phenyl]acetonitrile Traditional Name: 2-[4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]phenyl]acetonitrile Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C19H22N6O2/c20-11-10-13-6-8-15(9-7-13)22-19-23-17(21)16(25-26)18(24-19)27-12-14-4-2-1-3-5-14/h6-9,14H,1-5,10,12H2,(H3,21,22,23,24)