(3S)-3-[(5-methyl-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]azepan-2-one

Systemtic Name: (3S)-3-[(5-methyl-6-pyrrolidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]azepan-2-one Openeye Name: (3S)-3-[[5-methyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]azepan-2-one CAS Name: (3S)-3-[[5-methyl-6-[oxo(1-pyrrolidinyl)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]-2-azepanone IUPAC Name: (3S)-3-[[5-methyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]azepan-2-one Traditional Name: (3S)-3-[[5-methyl-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]azepan-2-one Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3CCCCNC3=O)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N[C@H]3CCCCNC3=O)C(=O)N4CCCC4

InChI

InChI=1S/C18H23N5O2S/c1-11-13-15(22-12-6-2-3-7-19-16(12)24)20-10-21-17(13)26-14(11)18(25)23-8-4-5-9-23/h10,12H,2-9H2,1H3,(H,19,24)(H,20,21,22)/t12-/m0/s1