N6-[3-azanyl-2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]-N4-[2-(2-azanylethylsulfanyl)-3-(5-azanylpentanoylamino)-5-tert-butyl-phenyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N6-[3-azanyl-2-(2-azanylethylsulfanyl)-5-tert-butyl-phenyl]-N4-[2-(2-azanylethylsulfanyl)-3-(5-azanylpentanoylamino)-5-tert-butyl-phenyl]pyrimidine-4,6-dicarboxamide Openeye Name: N6-[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butyl-phenyl]-N4-[2-(2-aminoethylsulfanyl)-3-(5-aminopentanoylamino)-5-tert-butyl-phenyl]pyrimidine-4,6-dicarboxamide CAS Name: N6-[3-amino-2-(2-aminoethylthio)-5-tert-butylphenyl]-N4-[2-(2-aminoethylthio)-3-[(5-amino-1-oxopentyl)amino]-5-tert-butylphenyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 6-N-[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-(5-aminopentanoylamino)-5-tert-butylphenyl]pyrimidine-4,6-dicarboxamide Traditional Name: N'-[3-amino-2-(2-aminoethylthio)-5-tert-butyl-phenyl]-N-[2-(2-aminoethylthio)-3-(5-aminopentanoylamino)-5-tert-butyl-phenyl]pyrimidine-4,6-dicarboxamide Formula: C35H51N9O3S2 MolecularWeight: 709.96794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)NC(=O)C2=CC(=NC=N2)C(=O)NC3=C(C(=CC(=C3)C(C)(C)C)NC(=O)CCCCN)SCCN)SCCN)N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)NC(=O)C2=CC(=NC=N2)C(=O)NC3=C(C(=CC(=C3)C(C)(C)C)NC(=O)CCCCN)SCCN)SCCN)N

InChI

InChI=1S/C35H51N9O3S2/c1-34(2,3)21-15-23(39)30(48-13-11-37)24(16-21)43-32(46)27-19-28(41-20-40-27)33(47)44-26-18-22(35(4,5)6)17-25(31(26)49-14-12-38)42-29(45)9-7-8-10-36/h15-20H,7-14,36-39H2,1-6H3,(H,42,45)(H,43,46)(H,44,47)