5-[4-[(5-chloranylthiophen-3-yl)methylamino]phenyl]-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-[(5-chloranylthiophen-3-yl)methylamino]phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-[(5-chloro-3-thienyl)methylamino]phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-[(5-chloro-3-thiophenyl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-[(5-chlorothiophen-3-yl)methylamino]phenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: (5-chloro-3-thienyl)methyl-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]amine Formula: C17H18ClN5S MolecularWeight: 359.87632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CSC(=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NCC3=CSC(=C3)Cl

InChI

InChI=1S/C17H18ClN5S/c1-2-13-15(16(19)23-17(20)22-13)11-3-5-12(6-4-11)21-8-10-7-14(18)24-9-10/h3-7,9,21H,2,8H2,1H3,(H4,19,20,22,23)