1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one

Systemtic Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one CAS Name: 1-[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 1-[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Formula: C25H34N6O MolecularWeight: 434.57706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)CCC

Isomeric SMILES

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)CCC

InChI

InChI=1S/C25H34N6O/c1-4-6-14-22(32)29-15-10-16-30(18-17-29)24-23-19(3)28-31(20-12-8-7-9-13-20)25(23)27-21(26-24)11-5-2/h7-9,12-13H,4-6,10-11,14-18H2,1-3H3