[(1R,2S)-1-[2-[(E)-dimethylaminomethylideneamino]-3-[2-(4-nitrophenyl)ethyl]-4-oxidanylidene-pteridin-6-yl]-1-[(4-methoxyphenyl)methoxy]propan-2-yl] ethanoate

Systemtic Name: [(1R,2S)-1-[2-[(E)-dimethylaminomethylideneamino]-3-[2-(4-nitrophenyl)ethyl]-4-oxidanylidene-pteridin-6-yl]-1-[(4-methoxyphenyl)methoxy]propan-2-yl] ethanoate Openeye Name: [(1S,2R)-2-[2-[(E)-dimethylaminomethyleneamino]-3-[2-(4-nitrophenyl)ethyl]-4-oxo-pteridin-6-yl]-2-[(4-methoxyphenyl)methoxy]-1-methyl-ethyl] acetate CAS Name: acetic acid [(1R,2S)-1-[2-[(E)-dimethylaminomethylideneamino]-3-[2-(4-nitrophenyl)ethyl]-4-oxo-6-pteridinyl]-1-[(4-methoxyphenyl)methoxy]propan-2-yl] ester IUPAC Name: [(1R,2S)-1-[2-[(E)-dimethylaminomethylideneamino]-3-[2-(4-nitrophenyl)ethyl]-4-oxopteridin-6-yl]-1-[(4-methoxyphenyl)methoxy]propan-2-yl] acetate Traditional Name: acetic acid [(1S,2R)-2-[2-[(E)-dimethylaminomethyleneamino]-4-keto-3-[2-(4-nitrophenyl)ethyl]pteridin-6-yl]-1-methyl-2-p-anisyloxy-ethyl] ester Formula: C30H33N7O7 MolecularWeight: 603.62572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CN=C2C(=N1)C(=O)N(C(=N2)N=CN(C)C)CCC3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=C(C=C4)OC)OC(=O)C

Isomeric SMILES

C[C@@H]([C@@H](C1=CN=C2C(=N1)C(=O)N(C(=N2)/N=C/N(C)C)CCC3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=C(C=C4)OC)OC(=O)C

InChI

InChI=1S/C30H33N7O7/c1-19(44-20(2)38)27(43-17-22-8-12-24(42-5)13-9-22)25-16-31-28-26(33-25)29(39)36(30(34-28)32-18-35(3)4)15-14-21-6-10-23(11-7-21)37(40)41/h6-13,16,18-19,27H,14-15,17H2,1-5H3/b32-18+/t19-,27-/m0/s1