6-methyl-5-[(2S)-2-methylbutyl]-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-quinazolinylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(quinazolin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(quinazolin-4-ylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=NC4=CC=CC=C43)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H22N4OS2/c1-4-12(2)9-15-13(3)28-21-18(15)19(26)24-17(25-21)10-27-20-14-7-5-6-8-16(14)22-11-23-20/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25,26)/t12-/m0/s1