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

Systemtic Name: 6-(4-chlorophenyl)-N4,N4-diethyl-pteridine-2,4-diamine dihydrate Openeye Name: 6-(4-chlorophenyl)-N4,N4-diethyl-pteridine-2,4-diamine dihydrate CAS Name: 6-(4-chlorophenyl)-N4,N4-diethylpteridine-2,4-diamine dihydrate IUPAC Name: 6-(4-chlorophenyl)-4-N,4-N-diethylpteridine-2,4-diamine dihydrate Traditional Name: [2-amino-6-(4-chlorophenyl)pteridin-4-yl]-diethyl-amine dihydrate Formula: C16H21ClN6O2 MolecularWeight: 364.82994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC2=NC=C(N=C21)C3=CC=C(C=C3)Cl)N.O.O

Isomeric SMILES

CCN(CC)C1=NC(=NC2=NC=C(N=C21)C3=CC=C(C=C3)Cl)N.O.O

InChI

InChI=1S/C16H17ClN6.2H2O/c1-3-23(4-2)15-13-14(21-16(18)22-15)19-9-12(20-13)10-5-7-11(17)8-6-10;;/h5-9H,3-4H2,1-2H3,(H2,18,19,21,22);2*1H2