4-[[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]-2-methoxy-phenol

Systemtic Name: 4-[[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]-2-methoxy-phenol Openeye Name: 4-[[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]-2-methoxy-phenol CAS Name: 4-[[[6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinyl]amino]methyl]-2-methoxyphenol IUPAC Name: 4-[[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)amino]methyl]-2-methoxyphenol Traditional Name: 4-[[(6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)amino]methyl]-2-methoxy-phenol Formula: C22H27ClN8O2 MolecularWeight: 470.95518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=NC3=C(C(=NC(=N3)N4CCNCC4)N5CCCC5)N=C2Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=NC3=C(C(=NC(=N3)N4CCNCC4)N5CCCC5)N=C2Cl)O

InChI

InChI=1S/C22H27ClN8O2/c1-33-16-12-14(4-5-15(16)32)13-25-20-18(23)26-17-19(27-20)28-22(31-10-6-24-7-11-31)29-21(17)30-8-2-3-9-30/h4-5,12,24,32H,2-3,6-11,13H2,1H3,(H,25,27,28,29)