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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-pteridin-2-amine dihydrate hydrochloride Openeye Name: 6-(3,4-dimethoxyphenyl)-4-(1-piperidyl)pteridin-2-amine dihydrate hydrochloride CAS Name: 6-(3,4-dimethoxyphenyl)-4-(1-piperidinyl)-2-pteridinamine dihydrate hydrochloride IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpteridin-2-amine dihydrate hydrochloride Traditional Name: [6-(3,4-dimethoxyphenyl)-4-piperidino-pteridin-2-yl]amine dihydrate hydrochloride Formula: C19H27ClN6O4 MolecularWeight: 438.90848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCCCC4)OC.O.O.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCCCC4)OC.O.O.Cl

InChI

InChI=1S/C19H22N6O2.ClH.2H2O/c1-26-14-7-6-12(10-15(14)27-2)13-11-21-17-16(22-13)18(24-19(20)23-17)25-8-4-3-5-9-25;;;/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,20,21,23,24);1H;2*1H2