[4-(2-dimethylaminoethyloxy)phenyl]-[4-[1-[(3-ethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: [4-(2-dimethylaminoethyloxy)phenyl]-[4-[1-[(3-ethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(2-dimethylaminoethyloxy)phenyl]-[4-[1-[(3-ethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: [4-(2-dimethylaminoethyloxy)phenyl]-[4-[1-[(3-ethoxyphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-(2-dimethylaminoethyloxy)phenyl]-[4-[1-[(3-ethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: [4-(2-dimethylaminoethyloxy)phenyl]-[4-[1-(3-ethoxybenzyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]methanone Formula: C29H35N7O3 MolecularWeight: 529.6333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)OCCN(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)OCCN(C)C

InChI

InChI=1S/C29H35N7O3/c1-4-38-25-7-5-6-22(18-25)20-36-28-26(19-32-36)27(30-21-31-28)34-12-14-35(15-13-34)29(37)23-8-10-24(11-9-23)39-17-16-33(2)3/h5-11,18-19,21H,4,12-17,20H2,1-3H3