5-[bis(azanyl)methylideneamino]-2-[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-pentanoic acid Openeye Name: 2-[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-5-guanidino-pentanoic acid CAS Name: 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfonyl-5-nitro-4-pyrimidinyl]oxy]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxy-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[6-[4-cyano-3-(dimethylamino)phenoxy]-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-5-guanidino-valeric acid Formula: C20H24N8O8S MolecularWeight: 536.51836

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC(=C1)OC2=C(C(=NC(=N2)S(=O)(=O)C)OC(CCCN=C(N)N)C(=O)O)[N+](=O)[O-])C#N

Isomeric SMILES

CN(C)C1=C(C=CC(=C1)OC2=C(C(=NC(=N2)S(=O)(=O)C)OC(CCCN=C(N)N)C(=O)O)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H24N8O8S/c1-27(2)13-9-12(7-6-11(13)10-21)35-16-15(28(31)32)17(26-20(25-16)37(3,33)34)36-14(18(29)30)5-4-8-24-19(22)23/h6-7,9,14H,4-5,8H2,1-3H3,(H,29,30)(H4,22,23,24)