ethyl (E)-3-(2-azanyl-7,7-dimethyl-4-oxidanylidene-1,8-dihydropteridin-6-yl)prop-2-enoate

Systemtic Name: ethyl (E)-3-(2-azanyl-7,7-dimethyl-4-oxidanylidene-1,8-dihydropteridin-6-yl)prop-2-enoate Openeye Name: ethyl (E)-3-(2-amino-7,7-dimethyl-4-oxo-1,8-dihydropteridin-6-yl)prop-2-enoate CAS Name: (E)-3-(2-amino-7,7-dimethyl-4-oxo-1,8-dihydropteridin-6-yl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-amino-7,7-dimethyl-4-oxo-1,8-dihydropteridin-6-yl)prop-2-enoate Traditional Name: (E)-3-(2-amino-4-keto-7,7-dimethyl-1,8-dihydropteridin-6-yl)acrylic acid ethyl ester Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=NC2=C(NC(=NC2=O)N)NC1(C)C

Isomeric SMILES

CCOC(=O)/C=C/C1=NC2=C(NC(=NC2=O)N)NC1(C)C

InChI

InChI=1S/C13H17N5O3/c1-4-21-8(19)6-5-7-13(2,3)18-10-9(15-7)11(20)17-12(14)16-10/h5-6H,4H2,1-3H3,(H4,14,16,17,18,20)/b6-5+