2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-butyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4C(=N3)N)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4C(=N3)N)SC(=C2C)C

InChI

InChI=1S/C21H23N5OS2/c1-4-5-10-26-20(27)17-12(2)13(3)29-19(17)25-21(26)28-11-16-23-15-9-7-6-8-14(15)18(22)24-16/h6-9H,4-5,10-11H2,1-3H3,(H2,22,23,24)