6-(4-methoxyphenyl)-4-piperidin-1-yl-pteridin-2-amine hydrate

Systemtic Name: 6-(4-methoxyphenyl)-4-piperidin-1-yl-pteridin-2-amine hydrate Openeye Name: 6-(4-methoxyphenyl)-4-(1-piperidyl)pteridin-2-amine hydrate CAS Name: 6-(4-methoxyphenyl)-4-(1-piperidinyl)-2-pteridinamine hydrate IUPAC Name: 6-(4-methoxyphenyl)-4-piperidin-1-ylpteridin-2-amine hydrate Traditional Name: [6-(4-methoxyphenyl)-4-piperidino-pteridin-2-yl]amine hydrate Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O.H2O/c1-25-13-7-5-12(6-8-13)14-11-20-16-15(21-14)17(23-18(19)22-16)24-9-3-2-4-10-24;/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22,23);1H2