[6-chloranyl-2-[(E)-dimethylaminomethylideneamino]-4-oxidanylidene-pteridin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [6-chloranyl-2-[(E)-dimethylaminomethylideneamino]-4-oxidanylidene-pteridin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [6-chloro-2-[(E)-dimethylaminomethyleneamino]-4-oxo-pteridin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-chloro-2-[(E)-dimethylaminomethylideneamino]-4-oxo-3-pteridinyl]methyl ester IUPAC Name: [6-chloro-2-[(E)-dimethylaminomethylideneamino]-4-oxopteridin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-chloro-2-[(E)-dimethylaminomethyleneamino]-4-keto-pteridin-3-yl]methyl ester Formula: C15H19ClN6O3 MolecularWeight: 366.80276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=O)C2=NC(=CN=C2N=C1N=CN(C)C)Cl

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=O)C2=NC(=CN=C2N=C1/N=C/N(C)C)Cl

InChI

InChI=1S/C15H19ClN6O3/c1-15(2,3)13(24)25-8-22-12(23)10-11(17-6-9(16)19-10)20-14(22)18-7-21(4)5/h6-7H,8H2,1-5H3/b18-7+