methyl 5-methyl-4-oxidanylidene-2-[[2-oxidanylpentyl-(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[[2-oxidanylpentyl-(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[benzyl(2-hydroxypentyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-hydroxypentyl-(phenylmethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[benzyl(2-hydroxypentyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[benzyl(2-hydroxypentyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN(CC1=CC=CC=C1)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2)O

Isomeric SMILES

CCCC(CN(CC1=CC=CC=C1)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2)O

InChI

InChI=1S/C22H27N3O4S/c1-4-8-16(26)12-25(11-15-9-6-5-7-10-15)13-17-23-20(27)18-14(2)19(22(28)29-3)30-21(18)24-17/h5-7,9-10,16,26H,4,8,11-13H2,1-3H3,(H,23,24,27)