2-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-4-[2-[1-(dimethylamino)ethyl]-3-(dimethylcarbamoyl)phenoxy]-7-oxidanylidene-6,8-dihydropteridin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-4-[2-[1-(dimethylamino)ethyl]-3-(dimethylcarbamoyl)phenoxy]-7-oxidanylidene-6,8-dihydropteridin-5-yl]ethanoic acid Openeye Name: 2-[2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxy-4-[2-[1-(dimethylamino)ethyl]-3-(dimethylcarbamoyl)phenoxy]-7-oxo-6,8-dihydropteridin-5-yl]acetic acid CAS Name: 2-[2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-4-[2-[1-(dimethylamino)ethyl]-3-[dimethylamino(oxo)methyl]phenoxy]-7-oxo-6,8-dihydropteridin-5-yl]acetic acid IUPAC Name: 2-[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-4-[2-[1-(dimethylamino)ethyl]-3-(dimethylcarbamoyl)phenoxy]-7-oxo-6,8-dihydropteridin-5-yl]acetic acid Traditional Name: 2-[2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]oxy-4-[2-[1-(dimethylamino)ethyl]-3-(dimethylcarbamoyl)phenoxy]-7-keto-6,8-dihydropteridin-5-yl]acetic acid Formula: C28H32N8O7 MolecularWeight: 592.60308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1OC2=NC(=NC3=C2N(CC(=O)N3)CC(=O)O)OC4=CC(=C(N)N)C=CC4=O)C(=O)N(C)C)N(C)C

Isomeric SMILES

CC(C1=C(C=CC=C1OC2=NC(=NC3=C2N(CC(=O)N3)CC(=O)O)OC4=CC(=C(N)N)C=CC4=O)C(=O)N(C)C)N(C)C

InChI

InChI=1S/C28H32N8O7/c1-14(34(2)3)22-16(27(41)35(4)5)7-6-8-18(22)42-26-23-25(31-20(38)12-36(23)13-21(39)40)32-28(33-26)43-19-11-15(24(29)30)9-10-17(19)37/h6-11,14H,12-13,29-30H2,1-5H3,(H,39,40)(H,31,32,33,38)