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

Systemtic Name: 6-azanyl-2-[2-[3-[bis(azanyl)methylideneamino]phenoxy]-6-[5-cyano-2-(dimethylamino)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-hexanoic acid Openeye Name: 6-amino-2-[6-[5-cyano-2-(dimethylamino)phenoxy]-2-(3-guanidinophenoxy)-5-nitro-pyrimidin-4-yl]oxy-hexanoic acid CAS Name: 6-amino-2-[[6-[5-cyano-2-(dimethylamino)phenoxy]-2-[3-(diaminomethylideneamino)phenoxy]-5-nitro-4-pyrimidinyl]oxy]hexanoic acid IUPAC Name: 6-amino-2-[6-[5-cyano-2-(dimethylamino)phenoxy]-2-[3-(diaminomethylideneamino)phenoxy]-5-nitropyrimidin-4-yl]oxyhexanoic acid Traditional Name: 6-amino-2-[6-[5-cyano-2-(dimethylamino)phenoxy]-2-(3-guanidinophenoxy)-5-nitro-pyrimidin-4-yl]oxy-hexanoic acid Formula: C26H29N9O7 MolecularWeight: 579.56456

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C#N)OC2=C(C(=NC(=N2)OC3=CC=CC(=C3)N=C(N)N)OC(CCCCN)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C#N)OC2=C(C(=NC(=N2)OC3=CC=CC(=C3)N=C(N)N)OC(CCCCN)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H29N9O7/c1-34(2)18-10-9-15(14-28)12-20(18)42-23-21(35(38)39)22(41-19(24(36)37)8-3-4-11-27)32-26(33-23)40-17-7-5-6-16(13-17)31-25(29)30/h5-7,9-10,12-13,19H,3-4,8,11,27H2,1-2H3,(H,36,37)(H4,29,30,31)