methyl (E)-3-[2-(2,2-dimethylpropanoylamino)-7,7-dimethyl-4-oxidanylidene-1,8-dihydropteridin-6-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[2-(2,2-dimethylpropanoylamino)-7,7-dimethyl-4-oxidanylidene-1,8-dihydropteridin-6-yl]prop-2-enoate Openeye Name: methyl (E)-3-[2-(2,2-dimethylpropanoylamino)-7,7-dimethyl-4-oxo-1,8-dihydropteridin-6-yl]prop-2-enoate CAS Name: (E)-3-[2-[(2,2-dimethyl-1-oxopropyl)amino]-7,7-dimethyl-4-oxo-1,8-dihydropteridin-6-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(2,2-dimethylpropanoylamino)-7,7-dimethyl-4-oxo-1,8-dihydropteridin-6-yl]prop-2-enoate Traditional Name: (E)-3-[4-keto-7,7-dimethyl-2-(pivaloylamino)-1,8-dihydropteridin-6-yl]acrylic acid methyl ester Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC2=C(N1)NC(=NC2=O)NC(=O)C(C)(C)C)C=CC(=O)OC)C

Isomeric SMILES

CC1(C(=NC2=C(N1)NC(=NC2=O)NC(=O)C(C)(C)C)/C=C/C(=O)OC)C

InChI

InChI=1S/C17H23N5O4/c1-16(2,3)14(25)21-15-19-12-11(13(24)20-15)18-9(17(4,5)22-12)7-8-10(23)26-6/h7-8H,1-6H3,(H3,19,20,21,22,24,25)/b8-7+