N-(2-hydroxyethyl)-5-methyl-4-[[(3S)-2-oxidanylideneazepan-3-yl]amino]-N-propan-2-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-5-methyl-4-[[(3S)-2-oxidanylideneazepan-3-yl]amino]-N-propan-2-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-hydroxyethyl)-N-isopropyl-5-methyl-4-[[(3S)-2-oxoazepan-3-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-hydroxyethyl)-5-methyl-4-[[(3S)-2-oxo-3-azepanyl]amino]-N-propan-2-yl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-hydroxyethyl)-5-methyl-4-[[(3S)-2-oxoazepan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-hydroxyethyl)-N-isopropyl-4-[[(3S)-2-ketoazepan-3-yl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3CCCCNC3=O)C(=O)N(CCO)C(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N[C@H]3CCCCNC3=O)C(=O)N(CCO)C(C)C

InChI

InChI=1S/C19H27N5O3S/c1-11(2)24(8-9-25)19(27)15-12(3)14-16(21-10-22-18(14)28-15)23-13-6-4-5-7-20-17(13)26/h10-11,13,25H,4-9H2,1-3H3,(H,20,26)(H,21,22,23)/t13-/m0/s1