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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NN=N1)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

InChI

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