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

Systemtic Name: phenethyl 5-methyl-4-[2-(naphthalen-1-ylamino)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCNC3=CC=CC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCNC3=CC=CC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O2S/c1-19-24-26(30-16-15-29-23-13-7-11-21-10-5-6-12-22(21)23)31-18-32-27(24)35-25(19)28(33)34-17-14-20-8-3-2-4-9-20/h2-13,18,29H,14-17H2,1H3,(H,30,31,32)