ethyl 4-azanyl-2-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H25N5O3S2 MolecularWeight: 495.617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5)N)C

InChI

InChI=1S/C24H25N5O3S2/c1-3-32-23(31)19-13(2)18-20(25)27-17(28-21(18)34-19)12-33-24-26-16-11-7-6-10-15(16)22(30)29(24)14-8-4-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H2,25,27,28)