2-[(4-methylphenyl)methylsulfanyl]-N-prop-2-enyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-prop-2-enyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine Openeye Name: N-allyl-2-(p-tolylmethylsulfanyl)benzothiopheno[3,2-d]pyrimidin-4-amine CAS Name: 2-[(4-methylphenyl)methylthio]-N-prop-2-enyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-N-prop-2-enyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine Traditional Name: allyl-[2-[(4-methylbenzyl)thio]benzothiopheno[3,2-d]pyrimidin-4-yl]amine Formula: C21H19N3S2 MolecularWeight: 377.52566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)NCC=C)SC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)NCC=C)SC4=CC=CC=C43

InChI

InChI=1S/C21H19N3S2/c1-3-12-22-20-19-18(16-6-4-5-7-17(16)26-19)23-21(24-20)25-13-15-10-8-14(2)9-11-15/h3-11H,1,12-13H2,2H3,(H,22,23,24)