N,N-bis(2-hydroxyethyl)-5-methyl-4-(3-phenylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N,N-bis(2-hydroxyethyl)-5-methyl-4-(3-phenylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N,N-bis(2-hydroxyethyl)-5-methyl-4-(3-phenylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N,N-bis(2-hydroxyethyl)-5-methyl-4-(3-phenylpropylamino)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N,N-bis(2-hydroxyethyl)-5-methyl-4-(3-phenylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N,N-bis(2-hydroxyethyl)-5-methyl-4-(3-phenylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCCC3=CC=CC=C3)C(=O)N(CCO)CCO

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCCC3=CC=CC=C3)C(=O)N(CCO)CCO

InChI

InChI=1S/C21H26N4O3S/c1-15-17-19(22-9-5-8-16-6-3-2-4-7-16)23-14-24-20(17)29-18(15)21(28)25(10-12-26)11-13-27/h2-4,6-7,14,26-27H,5,8-13H2,1H3,(H,22,23,24)