phenanthridin-6-ylmethyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: phenanthridin-6-ylmethyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: phenanthridin-6-ylmethyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid phenanthridin-6-ylmethyl ester Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CCN4C=NC5=C(C4=O)C=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)CCN4C=NC5=C(C4=O)C=CS5

InChI

InChI=1S/C23H17N3O3S/c27-21(9-11-26-14-24-22-18(23(26)28)10-12-30-22)29-13-20-17-7-2-1-5-15(17)16-6-3-4-8-19(16)25-20/h1-8,10,12,14H,9,11,13H2