methyl (E)-3-[2-[(E)-dimethylaminomethylideneamino]-4-oxidanylidene-1H-pteridin-6-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[2-[(E)-dimethylaminomethylideneamino]-4-oxidanylidene-1H-pteridin-6-yl]prop-2-enoate Openeye Name: methyl (E)-3-[2-[(E)-dimethylaminomethyleneamino]-4-oxo-1H-pteridin-6-yl]prop-2-enoate CAS Name: (E)-3-[2-[(E)-dimethylaminomethylideneamino]-4-oxo-1H-pteridin-6-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-[(E)-dimethylaminomethylideneamino]-4-oxo-1H-pteridin-6-yl]prop-2-enoate Traditional Name: (E)-3-[2-[(E)-dimethylaminomethyleneamino]-4-keto-1H-pteridin-6-yl]acrylic acid methyl ester Formula: C13H14N6O3 MolecularWeight: 302.28866

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC1=NC(=O)C2=NC(=CN=C2N1)C=CC(=O)OC

Isomeric SMILES

CN(C)/C=N/C1=NC(=O)C2=NC(=CN=C2N1)/C=C/C(=O)OC

InChI

InChI=1S/C13H14N6O3/c1-19(2)7-15-13-17-11-10(12(21)18-13)16-8(6-14-11)4-5-9(20)22-3/h4-7H,1-3H3,(H,14,17,18,21)/b5-4+,15-7+