6-(4-chlorophenyl)-N4,N4-dipropyl-pteridine-2,4-diamine trihydrate

Systemtic Name: 6-(4-chlorophenyl)-N4,N4-dipropyl-pteridine-2,4-diamine trihydrate Openeye Name: 6-(4-chlorophenyl)-N4,N4-dipropyl-pteridine-2,4-diamine trihydrate CAS Name: 6-(4-chlorophenyl)-N4,N4-dipropylpteridine-2,4-diamine trihydrate IUPAC Name: 6-(4-chlorophenyl)-4-N,4-N-dipropylpteridine-2,4-diamine trihydrate Traditional Name: [2-amino-6-(4-chlorophenyl)pteridin-4-yl]-dipropyl-amine trihydrate Formula: C18H27ClN6O3 MolecularWeight: 410.89838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN6.3H2O/c1-3-9-25(10-4-2)17-15-16(23-18(20)24-17)21-11-14(22-15)12-5-7-13(19)8-6-12;;;/h5-8,11H,3-4,9-10H2,1-2H3,(H2,20,21,23,24);3*1H2