N4-(3-bromophenyl)-N8-methyl-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine; ethanol

Systemtic Name: N4-(3-bromophenyl)-N8-methyl-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine; ethanol Openeye Name: N4-(3-bromophenyl)-N8-methyl-benzothiopheno[3,2-d]pyrimidine-4,8-diamine; ethanol CAS Name: N4-(3-bromophenyl)-N8-methyl-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine; ethanol IUPAC Name: 4-N-(3-bromophenyl)-8-N-methyl-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine; ethanol Traditional Name: [4-(3-bromoanilino)benzothiopheno[3,2-d]pyrimidin-8-yl]-methyl-amine; ethanol Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CNC1=CC2=C(C=C1)SC3=C2N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

CCO.CNC1=CC2=C(C=C1)SC3=C2N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C17H13BrN4S.C2H6O/c1-19-11-5-6-14-13(8-11)15-16(23-14)17(21-9-20-15)22-12-4-2-3-10(18)7-12;1-2-3/h2-9,19H,1H3,(H,20,21,22);3H,2H2,1H3