1-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(3-imidazol-1-ylpropylamino)ethanone; 3-imidazol-1-ylpropan-1-amine

Systemtic Name: 1-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(3-imidazol-1-ylpropylamino)ethanone; 3-imidazol-1-ylpropan-1-amine Openeye Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(3-imidazol-1-ylpropylamino)ethanone; 3-imidazol-1-ylpropan-1-amine CAS Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-azetidinyl]-2-[3-(1-imidazolyl)propylamino]ethanone; 3-(1-imidazolyl)-1-propanamine IUPAC Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(3-imidazol-1-ylpropylamino)ethanone; 3-imidazol-1-ylpropan-1-amine Traditional Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidin-1-yl]-2-(3-imidazol-1-ylpropylamino)ethanone; 3-imidazol-1-ylpropylamine Formula: C34H40N12O2 MolecularWeight: 648.7606

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)CNCCCN2C=CN=C2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N.C1=CN(C=N1)CCCN

Isomeric SMILES

C1C(CN1C(=O)CNCCCN2C=CN=C2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N.C1=CN(C=N1)CCCN

InChI

InChI=1S/C28H29N9O2.C6H11N3/c29-27-25-26(20-7-9-23(10-8-20)39-22-5-2-1-3-6-22)34-37(28(25)33-18-32-27)21-16-36(17-21)24(38)15-30-11-4-13-35-14-12-31-19-35;7-2-1-4-9-5-3-8-6-9/h1-3,5-10,12,14,18-19,21,30H,4,11,13,15-17H2,(H2,29,32,33);3,5-6H,1-2,4,7H2