[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] (E)-3-(5-phenyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-phenyl-2-thiophenyl)-2-propenoic acid [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-phenyl-2-thienyl)acrylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C=CC3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)/C=C/C3=CC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3S/c1-13(21(28)26-20-18-19(23-11-22-18)24-12-25-20)29-17(27)10-8-15-7-9-16(30-15)14-5-3-2-4-6-14/h2-13H,1H3,(H2,22,23,24,25,26,28)/b10-8+/t13-/m0/s1