5,6-dimethyl-2-[[[(3S)-octan-3-yl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[[(3S)-octan-3-yl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[[(1S)-1-ethylhexyl]amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[(3S)-octan-3-yl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[[(3S)-octan-3-yl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[(1S)-1-ethylhexyl]amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NCC1=NC2=C(C(=C(S2)C)C)C(=O)N1

Isomeric SMILES

CCCCC[C@H](CC)NCC1=NC2=C(C(=C(S2)C)C)C(=O)N1

InChI

InChI=1S/C17H27N3OS/c1-5-7-8-9-13(6-2)18-10-14-19-16(21)15-11(3)12(4)22-17(15)20-14/h13,18H,5-10H2,1-4H3,(H,19,20,21)/t13-/m0/s1