N2-[3,5-bis(chloranyl)phenyl]-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]purine-2,6-diamine

Systemtic Name: N2-[3,5-bis(chloranyl)phenyl]-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]purine-2,6-diamine Openeye Name: 9-[[2-benzyloxy-1-(benzyloxymethyl)ethoxy]methyl]-N2-(3,5-dichlorophenyl)purine-2,6-diamine CAS Name: 9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-N2-(3,5-dichlorophenyl)purine-2,6-diamine IUPAC Name: 9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2-N-(3,5-dichlorophenyl)purine-2,6-diamine Traditional Name: [6-amino-9-[[2-benzoxy-1-(benzoxymethyl)ethoxy]methyl]purin-2-yl]-(3,5-dichlorophenyl)amine Formula: C29H28Cl2N6O3 MolecularWeight: 579.47702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OCN3C=NC4=C3N=C(N=C4N)NC5=CC(=CC(=C5)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OCN3C=NC4=C3N=C(N=C4N)NC5=CC(=CC(=C5)Cl)Cl

InChI

InChI=1S/C29H28Cl2N6O3/c30-22-11-23(31)13-24(12-22)34-29-35-27(32)26-28(36-29)37(18-33-26)19-40-25(16-38-14-20-7-3-1-4-8-20)17-39-15-21-9-5-2-6-10-21/h1-13,18,25H,14-17,19H2,(H3,32,34,35,36)