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

Systemtic Name: methyl 5-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]pentanoate Openeye Name: methyl 5-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]pentanoate CAS Name: 5-[1-methyl-7-[(phenylmethyl)amino]-3-propyl-5-pyrazolo[4,3-d]pyrimidinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[7-(benzylamino)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl]pentanoate Traditional Name: 5-[7-(benzylamino)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl]valeric acid methyl ester Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-4-10-17-20-21(27(2)26-17)22(23-15-16-11-6-5-7-12-16)25-18(24-20)13-8-9-14-19(28)29-3/h5-7,11-12H,4,8-10,13-15H2,1-3H3,(H,23,24,25)