6-(3,4-dimethoxyphenyl)-N4,N4-dipropyl-pteridine-2,4-diamine hydrate

Systemtic Name: 6-(3,4-dimethoxyphenyl)-N4,N4-dipropyl-pteridine-2,4-diamine hydrate Openeye Name: 6-(3,4-dimethoxyphenyl)-N4,N4-dipropyl-pteridine-2,4-diamine hydrate CAS Name: 6-(3,4-dimethoxyphenyl)-N4,N4-dipropylpteridine-2,4-diamine hydrate IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-N,4-N-dipropylpteridine-2,4-diamine hydrate Traditional Name: [2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-dipropyl-amine hydrate Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O2.H2O/c1-5-9-26(10-6-2)19-17-18(24-20(21)25-19)22-12-14(23-17)13-7-8-15(27-3)16(11-13)28-4;/h7-8,11-12H,5-6,9-10H2,1-4H3,(H2,21,22,24,25);1H2