6-phenyl-4-piperidin-1-yl-pteridin-2-amine dihydrate

Systemtic Name: 6-phenyl-4-piperidin-1-yl-pteridin-2-amine dihydrate Openeye Name: 6-phenyl-4-(1-piperidyl)pteridin-2-amine dihydrate CAS Name: 6-phenyl-4-(1-piperidinyl)-2-pteridinamine dihydrate IUPAC Name: 6-phenyl-4-piperidin-1-ylpteridin-2-amine dihydrate Traditional Name: (6-phenyl-4-piperidino-pteridin-2-yl)amine dihydrate Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=NC=C(N=C32)C4=CC=CC=C4)N.O.O

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=NC=C(N=C32)C4=CC=CC=C4)N.O.O

InChI

InChI=1S/C17H18N6.2H2O/c18-17-21-15-14(16(22-17)23-9-5-2-6-10-23)20-13(11-19-15)12-7-3-1-4-8-12;;/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,18,19,21,22);2*1H2