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

Systemtic Name: ethyl (E)-2-methyl-3-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pteridin-6-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(2-benzylsulfanyl-4-oxo-1H-pteridin-6-yl)-2-methyl-prop-2-enoate CAS Name: (E)-2-methyl-3-[4-oxo-2-(phenylmethylthio)-1H-pteridin-6-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-benzylsulfanyl-4-oxo-1H-pteridin-6-yl)-2-methylprop-2-enoate Traditional Name: (E)-3-[2-(benzylthio)-4-keto-1H-pteridin-6-yl]-2-methyl-acrylic acid ethyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN=C2C(=N1)C(=O)N=C(N2)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN=C2C(=N1)C(=O)N=C(N2)SCC3=CC=CC=C3)/C

InChI

InChI=1S/C19H18N4O3S/c1-3-26-18(25)12(2)9-14-10-20-16-15(21-14)17(24)23-19(22-16)27-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,20,22,23,24)/b12-9+