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

Systemtic Name: methyl 4-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]butanoate Openeye Name: methyl 4-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]butanoate CAS Name: 4-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[7-(benzylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]butanoate Traditional Name: 4-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]butyric acid methyl ester Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-4-9-16-19-20(26(2)25-16)21(22-14-15-10-6-5-7-11-15)24-17(23-19)12-8-13-18(27)28-3/h5-7,10-11H,4,8-9,12-14H2,1-3H3,(H,22,23,24)