5-methyl-6-phenyl-3-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-methyl-6-phenyl-3-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-6-phenyl-3-[(1-propyltetrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-6-phenyl-3-[(1-propyl-5-tetrazolyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-methyl-6-phenyl-3-[(1-propyltetrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-methyl-6-phenyl-3-[(1-propyltetrazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one Formula: C18H18N6OS MolecularWeight: 366.44012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=N1)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

InChI

InChI=1S/C18H18N6OS/c1-3-9-24-14(20-21-22-24)10-23-11-19-17-15(18(23)25)12(2)16(26-17)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3