N4-(3-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine

Systemtic Name: N4-(3-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine Openeye Name: N4-(m-tolyl)benzothiopheno[3,2-d]pyrimidine-4,8-diamine CAS Name: N4-(3-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine IUPAC Name: 4-N-(3-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine-4,8-diamine Traditional Name: (8-aminobenzothiopheno[3,2-d]pyrimidin-4-yl)-(m-tolyl)amine Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=C2SC4=C3C=C(C=C4)N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=C2SC4=C3C=C(C=C4)N

InChI

InChI=1S/C17H14N4S/c1-10-3-2-4-12(7-10)21-17-16-15(19-9-20-17)13-8-11(18)5-6-14(13)22-16/h2-9H,18H2,1H3,(H,19,20,21)