(4-chloranylnaphthalen-1-yl) 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: (4-chloranylnaphthalen-1-yl) 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: (4-chloro-1-naphthyl) 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid (4-chloro-1-naphthyl) ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)OC3=CC=C(C4=CC=CC=C43)Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)OC3=CC=C(C4=CC=CC=C43)Cl)C

InChI

InChI=1S/C21H17ClN2O3S/c1-12-13(2)28-20-19(12)21(26)24(11-23-20)10-9-18(25)27-17-8-7-16(22)14-5-3-4-6-15(14)17/h3-8,11H,9-10H2,1-2H3