2-(hydroxymethyl)-5-[5-phenyl-4-[[4-(1-piperazin-1-ylethyl)phenyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[5-phenyl-4-[[4-(1-piperazin-1-ylethyl)phenyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[5-phenyl-4-[4-(1-piperazin-1-ylethyl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[5-phenyl-4-[4-[1-(1-piperazinyl)ethyl]anilino]-7-pyrrolo[2,3-d]pyrimidinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[5-phenyl-4-[4-(1-piperazin-1-ylethyl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[5-phenyl-4-[4-(1-piperazinoethyl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]tetrahydrofuran-3,4-diol Formula: C29H34N6O4 MolecularWeight: 530.61806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C5=CC=CC=C5)N6CCNCC6

Isomeric SMILES

CC(C1=CC=C(C=C1)NC2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C5=CC=CC=C5)N6CCNCC6

InChI

InChI=1S/C29H34N6O4/c1-18(34-13-11-30-12-14-34)19-7-9-21(10-8-19)33-27-24-22(20-5-3-2-4-6-20)15-35(28(24)32-17-31-27)29-26(38)25(37)23(16-36)39-29/h2-10,15,17-18,23,25-26,29-30,36-38H,11-14,16H2,1H3,(H,31,32,33)