ethyl 5-azanyl-3-[[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C21H21ClN4O3S2/c1-4-29-20(28)17-15(14(8-23)18(24)31-17)10-30-21-25-16-6-5-12(22)7-13(16)19(27)26(21)9-11(2)3/h5-7,11H,4,9-10,24H2,1-3H3