2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SC(C)C(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SC(C)C(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C20H22N4OS2/c1-11-12(2)26-18-16(11)17(21)22-20(23-18)27-13(3)19(25)24-9-8-14-6-4-5-7-15(14)10-24/h4-7,13H,8-10H2,1-3H3,(H2,21,22,23)