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

Systemtic Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-N-propan-2-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-isopropyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-N-propan-2-yl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-isopropyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-11(2)24-19(25)17-12(3)16-18(22-10-23-20(16)28-17)21-8-13-9-26-14-6-4-5-7-15(14)27-13/h4-7,10-11,13H,8-9H2,1-3H3,(H,24,25)(H,21,22,23)/t13-/m0/s1