8-bromanyl-2-[(phenethylamino)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 8-bromanyl-2-[(phenethylamino)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 8-bromo-2-[(phenethylamino)methyl]-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 8-bromo-2-[(phenethylamino)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 8-bromo-2-[(phenethylamino)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 8-bromo-2-[(phenethylamino)methyl]-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C19H16BrN3OS MolecularWeight: 414.31884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=NC(=O)C3=C(N2)C4=C(S3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=NC(=O)C3=C(N2)C4=C(S3)C=CC(=C4)Br

InChI

InChI=1S/C19H16BrN3OS/c20-13-6-7-15-14(10-13)17-18(25-15)19(24)23-16(22-17)11-21-9-8-12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2,(H,22,23,24)