N-(3-imidazol-1-ylpropyl)-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-5,6-dimethyl-2-[(phenylthio)methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C21H23N5S2 MolecularWeight: 409.57082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCCN3C=CN=C3)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCCN3C=CN=C3)CSC4=CC=CC=C4)C

InChI

InChI=1S/C21H23N5S2/c1-15-16(2)28-21-19(15)20(23-9-6-11-26-12-10-22-14-26)24-18(25-21)13-27-17-7-4-3-5-8-17/h3-5,7-8,10,12,14H,6,9,11,13H2,1-2H3,(H,23,24,25)