8-chloranyl-2-(phenylazanylmethyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 8-chloranyl-2-(phenylazanylmethyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-(anilinomethyl)-8-chloro-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-(anilinomethyl)-8-chloro-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-(anilinomethyl)-8-chloro-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-(anilinomethyl)-8-chloro-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C17H12ClN3OS MolecularWeight: 341.81468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC2=NC(=O)C3=C(N2)C4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)NCC2=NC(=O)C3=C(N2)C4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C17H12ClN3OS/c18-10-6-7-13-12(8-10)15-16(23-13)17(22)21-14(20-15)9-19-11-4-2-1-3-5-11/h1-8,19H,9H2,(H,20,21,22)