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

Systemtic Name: ethyl 5-azanyl-3-[[3-(6-azanyl-6-oxidanylidene-hexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[3-(6-amino-6-oxo-hexyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[3-(6-amino-6-oxohexyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[3-(6-amino-6-oxohexyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[3-(6-amino-6-keto-hexyl)-4-keto-quinazolin-2-yl]thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2CCCCCC(=O)N

InChI

InChI=1S/C23H25N5O4S2/c1-2-32-22(31)19-16(15(12-24)20(26)34-19)13-33-23-27-17-9-6-5-8-14(17)21(30)28(23)11-7-3-4-10-18(25)29/h5-6,8-9H,2-4,7,10-11,13,26H2,1H3,(H2,25,29)