2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-N,N'-bis[(4-chlorophenyl)methyl]pentanediamide

Systemtic Name: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-N,N'-bis[(4-chlorophenyl)methyl]pentanediamide Openeye Name: N,N'-bis[(4-chlorophenyl)methyl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanediamide CAS Name: N,N'-bis[(4-chlorophenyl)methyl]-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanediamide IUPAC Name: N,N'-bis[(4-chlorophenyl)methyl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanediamide Traditional Name: N,N'-bis(4-chlorobenzyl)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaramide Formula: C34H34Cl2N10O3 MolecularWeight: 701.60496

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCC4=CC=C(C=C4)Cl)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCC4=CC=C(C=C4)Cl)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C34H34Cl2N10O3/c1-46(19-25-18-40-31-29(42-25)30(37)44-34(38)45-31)26-12-6-22(7-13-26)32(48)43-27(33(49)41-17-21-4-10-24(36)11-5-21)14-15-28(47)39-16-20-2-8-23(35)9-3-20/h2-13,18,27H,14-17,19H2,1H3,(H,39,47)(H,41,49)(H,43,48)(H4,37,38,40,44,45)