methyl 3-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanoate

Systemtic Name: methyl 3-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanoate Openeye Name: methyl 3-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propanoate CAS Name: 3-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[7-(benzylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]propanoate Traditional Name: 3-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]propionic acid methyl ester Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2/c1-4-8-15-18-19(25(2)24-15)20(21-13-14-9-6-5-7-10-14)23-16(22-18)11-12-17(26)27-3/h5-7,9-10H,4,8,11-13H2,1-3H3,(H,21,22,23)