5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate

Systemtic Name: 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate Openeye Name: 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate CAS Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; N-[6-(propylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate Traditional Name: [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine; N-[6-(propylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C24H28ClN7O2S MolecularWeight: 514.04282

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC.CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC.CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN4.C12H15N3O2S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h3-6H,2H2,1H3,(H4,14,15,16,17);4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)