6-(4-chlorophenyl)-N4,N4-bis(phenylmethyl)pteridine-2,4-diamine dihydrate

Systemtic Name: 6-(4-chlorophenyl)-N4,N4-bis(phenylmethyl)pteridine-2,4-diamine dihydrate Openeye Name: N4,N4-dibenzyl-6-(4-chlorophenyl)pteridine-2,4-diamine dihydrate CAS Name: 6-(4-chlorophenyl)-N4,N4-bis(phenylmethyl)pteridine-2,4-diamine dihydrate IUPAC Name: 4-N,4-N-dibenzyl-6-(4-chlorophenyl)pteridine-2,4-diamine dihydrate Traditional Name: [2-amino-6-(4-chlorophenyl)pteridin-4-yl]-dibenzyl-amine dihydrate Formula: C26H25ClN6O2 MolecularWeight: 488.9687

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC(=NC4=NC=C(N=C43)C5=CC=C(C=C5)Cl)N.O.O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC(=NC4=NC=C(N=C43)C5=CC=C(C=C5)Cl)N.O.O

InChI

InChI=1S/C26H21ClN6.2H2O/c27-21-13-11-20(12-14-21)22-15-29-24-23(30-22)25(32-26(28)31-24)33(16-18-7-3-1-4-8-18)17-19-9-5-2-6-10-19;;/h1-15H,16-17H2,(H2,28,29,31,32);2*1H2