N4-(3-bromophenyl)-[1]benzothiolo[3,2-d]pyrimidine-4,6-diamine; methanol

Systemtic Name: N4-(3-bromophenyl)-[1]benzothiolo[3,2-d]pyrimidine-4,6-diamine; methanol Openeye Name: N4-(3-bromophenyl)benzothiopheno[3,2-d]pyrimidine-4,6-diamine; methanol CAS Name: N4-(3-bromophenyl)-[1]benzothiolo[3,2-d]pyrimidine-4,6-diamine; methanol IUPAC Name: 4-N-(3-bromophenyl)-[1]benzothiolo[3,2-d]pyrimidine-4,6-diamine; methanol Traditional Name: (6-aminobenzothiopheno[3,2-d]pyrimidin-4-yl)-(3-bromophenyl)amine; methanol Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2SC4=C3C=CC=C4N

Isomeric SMILES

CO.C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2SC4=C3C=CC=C4N

InChI

InChI=1S/C16H11BrN4S.CH4O/c17-9-3-1-4-10(7-9)21-16-15-13(19-8-20-16)11-5-2-6-12(18)14(11)22-15;1-2/h1-8H,18H2,(H,19,20,21);2H,1H3