ethyl (E)-6-[2-[(E)-dimethylaminomethylideneamino]-4-oxidanylidene-1H-pteridin-6-yl]-3-oxidanylidene-hex-5-enoate

Systemtic Name: ethyl (E)-6-[2-[(E)-dimethylaminomethylideneamino]-4-oxidanylidene-1H-pteridin-6-yl]-3-oxidanylidene-hex-5-enoate Openeye Name: ethyl (E)-6-[2-[(E)-dimethylaminomethyleneamino]-4-oxo-1H-pteridin-6-yl]-3-oxo-hex-5-enoate CAS Name: (E)-6-[2-[(E)-dimethylaminomethylideneamino]-4-oxo-1H-pteridin-6-yl]-3-oxo-5-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-6-[2-[(E)-dimethylaminomethylideneamino]-4-oxo-1H-pteridin-6-yl]-3-oxohex-5-enoate Traditional Name: (E)-6-[2-[(E)-dimethylaminomethyleneamino]-4-keto-1H-pteridin-6-yl]-3-keto-hex-5-enoic acid ethyl ester Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CC=CC1=CN=C2C(=N1)C(=O)N=C(N2)N=CN(C)C

Isomeric SMILES

CCOC(=O)CC(=O)C/C=C/C1=CN=C2C(=N1)C(=O)N=C(N2)/N=C/N(C)C

InChI

InChI=1S/C17H20N6O4/c1-4-27-13(25)8-12(24)7-5-6-11-9-18-15-14(20-11)16(26)22-17(21-15)19-10-23(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,21,22,26)/b6-5+,19-10+