(phenylmethyl) 4-(1,4-diazepan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 4-(1,4-diazepan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-(1,4-diazepan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1,4-diazepan-1-yl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1,4-diazepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1,4-diazepan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCNCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCNCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S/c1-14-16-18(24-10-5-8-21-9-11-24)22-13-23-19(16)27-17(14)20(25)26-12-15-6-3-2-4-7-15/h2-4,6-7,13,21H,5,8-12H2,1H3