N3-[1-(6-azanylpyrimidin-4-yl)benzimidazol-2-yl]-4-methyl-benzene-1,3-diamine

Systemtic Name: N3-[1-(6-azanylpyrimidin-4-yl)benzimidazol-2-yl]-4-methyl-benzene-1,3-diamine Openeye Name: N3-[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]-4-methyl-benzene-1,3-diamine CAS Name: N3-[1-(6-amino-4-pyrimidinyl)-2-benzimidazolyl]-4-methylbenzene-1,3-diamine IUPAC Name: 3-N-[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]-4-methylbenzene-1,3-diamine Traditional Name: (5-amino-2-methyl-phenyl)-[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amine Formula: C18H17N7 MolecularWeight: 331.37448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC2=NC3=CC=CC=C3N2C4=CC(=NC=N4)N

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC2=NC3=CC=CC=C3N2C4=CC(=NC=N4)N

InChI

InChI=1S/C18H17N7/c1-11-6-7-12(19)8-14(11)24-18-23-13-4-2-3-5-15(13)25(18)17-9-16(20)21-10-22-17/h2-10H,19H2,1H3,(H,23,24)(H2,20,21,22)