N4-[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]-N2-methyl-pyrimidine-2,4-diamine

Systemtic Name: N4-[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]-N2-methyl-pyrimidine-2,4-diamine Openeye Name: N4-[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]-N2-methyl-pyrimidine-2,4-diamine CAS Name: N4-[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]-N2-methylpyrimidine-2,4-diamine IUPAC Name: 4-N-[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]-2-N-methylpyrimidine-2,4-diamine Traditional Name: [2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]-[2-(methylamino)pyrimidin-4-yl]amine Formula: C18H17N7S MolecularWeight: 363.43948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N7S/c1-10-12-9-11(23-15-6-8-22-18(20-2)25-15)3-4-14(12)26-16(10)13-5-7-21-17(19)24-13/h3-9H,1-2H3,(H2,19,21,24)(H2,20,22,23,25)