(3S,4S)-1-(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)pyrrolidine-3,4-diol

Systemtic Name: (3S,4S)-1-(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)pyrrolidine-3,4-diol Openeye Name: (3S,4S)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)pyrrolidine-3,4-diol CAS Name: (3S,4S)-1-[6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinyl]pyrrolidine-3,4-diol IUPAC Name: (3S,4S)-1-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)pyrrolidine-3,4-diol Traditional Name: (3S,4S)-1-(6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)pyrrolidine-3,4-diol Formula: C18H25ClN8O2 MolecularWeight: 420.8965

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)N4CC(C(C4)O)O)Cl)N5CCNCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)N4C[C@@H]([C@H](C4)O)O)Cl)N5CCNCC5

InChI

InChI=1S/C18H25ClN8O2/c19-14-17(27-9-11(28)12(29)10-27)22-15-13(21-14)16(25-5-1-2-6-25)24-18(23-15)26-7-3-20-4-8-26/h11-12,20,28-29H,1-10H2/t11-,12-/m0/s1