2-(phenylmethylsulfanyl)-4-pyrrolidin-1-yl-[1]benzothiolo[3,2-d]pyrimidine

Systemtic Name: 2-(phenylmethylsulfanyl)-4-pyrrolidin-1-yl-[1]benzothiolo[3,2-d]pyrimidine Openeye Name: 2-benzylsulfanyl-4-pyrrolidin-1-yl-benzothiopheno[3,2-d]pyrimidine CAS Name: 2-(phenylmethylthio)-4-(1-pyrrolidinyl)-[1]benzothiolo[3,2-d]pyrimidine IUPAC Name: 2-benzylsulfanyl-4-pyrrolidin-1-yl-[1]benzothiolo[3,2-d]pyrimidine Traditional Name: 2-(benzylthio)-4-pyrrolidino-benzothiopheno[3,2-d]pyrimidine Formula: C21H19N3S2 MolecularWeight: 377.52566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2SC4=CC=CC=C43)SCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2SC4=CC=CC=C43)SCC5=CC=CC=C5

InChI

InChI=1S/C21H19N3S2/c1-2-8-15(9-3-1)14-25-21-22-18-16-10-4-5-11-17(16)26-19(18)20(23-21)24-12-6-7-13-24/h1-5,8-11H,6-7,12-14H2