6-(3,4-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)pteridin-2-amine dihydrate

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)pteridin-2-amine dihydrate Openeye Name: 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)pteridin-2-amine dihydrate CAS Name: 6-(3,4-dimethoxyphenyl)-4-(4-methyl-1-piperazinyl)-2-pteridinamine dihydrate IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)pteridin-2-amine dihydrate Traditional Name: [6-(3,4-dimethoxyphenyl)-4-(4-methylpiperazino)pteridin-2-yl]amine dihydrate Formula: C19H27N7O4 MolecularWeight: 417.46218

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC3=NC=C(N=C32)C4=CC(=C(C=C4)OC)OC)N.O.O

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC3=NC=C(N=C32)C4=CC(=C(C=C4)OC)OC)N.O.O

InChI

InChI=1S/C19H23N7O2.2H2O/c1-25-6-8-26(9-7-25)18-16-17(23-19(20)24-18)21-11-13(22-16)12-4-5-14(27-2)15(10-12)28-3;;/h4-5,10-11H,6-9H2,1-3H3,(H2,20,21,23,24);2*1H2