5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(3-pyridylmethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-2-[(phenylthio)methyl]-N-(3-pyridinylmethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C21H20N4S2 MolecularWeight: 392.5403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CN=CC=C3)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CN=CC=C3)CSC4=CC=CC=C4)C

InChI

InChI=1S/C21H20N4S2/c1-14-15(2)27-21-19(14)20(23-12-16-7-6-10-22-11-16)24-18(25-21)13-26-17-8-4-3-5-9-17/h3-11H,12-13H2,1-2H3,(H,23,24,25)