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

Systemtic Name: ethyl (E)-3-[2-(2,2-dimethylpropanoylamino)-7,7-dimethyl-4-oxidanylidene-1,8-dihydropteridin-6-yl]prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4/c1-7-27-11(24)9-8-10-18(5,6)23-13-12(19-10)14(25)21-16(20-13)22-15(26)17(2,3)4/h8-9H,7H2,1-6H3,(H3,20,21,22,23,25,26)/b9-8+