ethanol; N4-phenyl-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine

Systemtic Name: ethanol; N4-phenyl-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine Openeye Name: ethanol; N4-phenylbenzothiopheno[3,2-d]pyrimidine-4,8-diamine CAS Name: ethanol; N4-phenyl-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine IUPAC Name: ethanol; 4-N-phenyl-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine Traditional Name: (8-aminobenzothiopheno[3,2-d]pyrimidin-4-yl)-phenyl-amine; ethanol Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CC=C(C=C1)NC2=NC=NC3=C2SC4=C3C=C(C=C4)N

Isomeric SMILES

CCO.C1=CC=C(C=C1)NC2=NC=NC3=C2SC4=C3C=C(C=C4)N

InChI

InChI=1S/C16H12N4S.C2H6O/c17-10-6-7-13-12(8-10)14-15(21-13)16(19-9-18-14)20-11-4-2-1-3-5-11;1-2-3/h1-9H,17H2,(H,18,19,20);3H,2H2,1H3