N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-tert-butyl-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3COC4=CC=CC=C4O3)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC[C@H]3COC4=CC=CC=C4O3)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H24N4O3S/c1-12-16-18(22-9-13-10-27-14-7-5-6-8-15(14)28-13)23-11-24-20(16)29-17(12)19(26)25-21(2,3)4/h5-8,11,13H,9-10H2,1-4H3,(H,25,26)(H,22,23,24)/t13-/m0/s1