N3-[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]benzene-1,3-diamine

Systemtic Name: N3-[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]benzene-1,3-diamine Openeye Name: N3-[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]benzene-1,3-diamine CAS Name: N3-[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]benzene-1,3-diamine IUPAC Name: 3-N-[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]benzene-1,3-diamine Traditional Name: (3-aminophenyl)-[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amine Formula: C19H17N5S MolecularWeight: 347.43678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)NC3=CC=CC(=C3)N)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)NC3=CC=CC(=C3)N)C4=NC(=NC=C4)N

InChI

InChI=1S/C19H17N5S/c1-11-15-10-14(23-13-4-2-3-12(20)9-13)5-6-17(15)25-18(11)16-7-8-22-19(21)24-16/h2-10,23H,20H2,1H3,(H2,21,22,24)