3-[7-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanenitrile

Systemtic Name: 3-[7-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanenitrile Openeye Name: 3-[7-[(3-chloro-4-methoxy-phenyl)methylamino]-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanenitrile CAS Name: 3-[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]propanenitrile IUPAC Name: 3-[7-[(3-chloro-4-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]propanenitrile Traditional Name: 3-[7-[(3-chloro-4-methoxy-benzyl)amino]-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propionitrile Formula: C20H23ClN6O MolecularWeight: 398.88922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1N=C(N=C2NCC3=CC(=C(C=C3)OC)Cl)CCC#N)C

Isomeric SMILES

CCCC1=NN(C2=C1N=C(N=C2NCC3=CC(=C(C=C3)OC)Cl)CCC#N)C

InChI

InChI=1S/C20H23ClN6O/c1-4-6-15-18-19(27(2)26-15)20(25-17(24-18)7-5-10-22)23-12-13-8-9-16(28-3)14(21)11-13/h8-9,11H,4-7,12H2,1-3H3,(H,23,24,25)