2-[3-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]phenyl]ethanenitrile

Systemtic Name: 2-[3-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]phenyl]ethanenitrile Openeye Name: 2-[3-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]phenyl]acetonitrile CAS Name: 2-[3-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-2-pyrimidinyl]amino]phenyl]acetonitrile IUPAC Name: 2-[3-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]phenyl]acetonitrile Traditional Name: 2-[3-[[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=CC(=C3)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O2/c20-10-9-13-7-4-8-15(11-13)22-19-23-17(21)16(25-26)18(24-19)27-12-14-5-2-1-3-6-14/h4,7-8,11,14H,1-3,5-6,9,12H2,(H3,21,22,23,24)