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

Systemtic Name: 6-phenyl-N4,N4-bis(phenylmethyl)pteridine-2,4-diamine dihydrate Openeye Name: N4,N4-dibenzyl-6-phenyl-pteridine-2,4-diamine dihydrate CAS Name: 6-phenyl-N4,N4-bis(phenylmethyl)pteridine-2,4-diamine dihydrate IUPAC Name: 4-N,4-N-dibenzyl-6-phenylpteridine-2,4-diamine dihydrate Traditional Name: (2-amino-6-phenyl-pteridin-4-yl)-dibenzyl-amine dihydrate Formula: C26H26N6O2 MolecularWeight: 454.52364

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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=CC=C5)N.O.O

Isomeric SMILES

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

InChI

InChI=1S/C26H22N6.2H2O/c27-26-30-24-23(29-22(16-28-24)21-14-8-3-9-15-21)25(31-26)32(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20;;/h1-16H,17-18H2,(H2,27,28,30,31);2*1H2