3-[[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]methyl]benzonitrile CAS Name: 3-[[[6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinyl]amino]methyl]benzonitrile IUPAC Name: 3-[[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)amino]methyl]benzonitrile Traditional Name: 3-[[(6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)amino]methyl]benzonitrile Formula: C22H24ClN9 MolecularWeight: 449.93926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN9/c23-18-20(26-14-16-5-3-4-15(12-16)13-24)28-19-17(27-18)21(31-8-1-2-9-31)30-22(29-19)32-10-6-25-7-11-32/h3-5,12,25H,1-2,6-11,14H2,(H,26,28,29,30)