methyl 5-methyl-4-[2-(naphthalen-1-ylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-4-[2-(naphthalen-1-ylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-[2-(1-naphthylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[2-(1-naphthalenylamino)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-[2-(naphthalen-1-ylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[2-(1-naphthylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCNC3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCNC3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H20N4O2S/c1-13-17-19(24-12-25-20(17)28-18(13)21(26)27-2)23-11-10-22-16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12,22H,10-11H2,1-2H3,(H,23,24,25)