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

Systemtic Name: (phenylmethyl) 4-(3-azanylpropylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-(3-aminopropylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-aminopropylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-aminopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-aminopropylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCCN)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCCN)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S/c1-12-14-16(20-9-5-8-19)21-11-22-17(14)25-15(12)18(23)24-10-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10,19H2,1H3,(H,20,21,22)