N-(1,3-benzothiazol-2-ylmethyl)-4-(3-methoxypropylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-methoxypropylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-methoxypropylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-methoxypropylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(3-methoxypropylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCCOC)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCCOC)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N5O2S2/c1-12-16-18(21-8-5-9-27-2)23-11-24-20(16)29-17(12)19(26)22-10-15-25-13-6-3-4-7-14(13)28-15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,22,26)(H,21,23,24)