4-[[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]benzene-1,2-diol

Systemtic Name: 4-[[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]benzene-1,2-diol Openeye Name: 4-[[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]benzene-1,2-diol CAS Name: 4-[[[6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinyl]amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)amino]methyl]benzene-1,2-diol Traditional Name: 4-[[(6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)amino]methyl]pyrocatechol Formula: C21H25ClN8O2 MolecularWeight: 456.9286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC(=C(C=C4)O)O)Cl)N5CCNCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC(=C(C=C4)O)O)Cl)N5CCNCC5

InChI

InChI=1S/C21H25ClN8O2/c22-17-19(24-12-13-3-4-14(31)15(32)11-13)26-18-16(25-17)20(29-7-1-2-8-29)28-21(27-18)30-9-5-23-6-10-30/h3-4,11,23,31-32H,1-2,5-10,12H2,(H,24,26,27,28)