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

Systemtic Name: 3-[1-[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]ethyl]benzenecarbonitrile Openeye Name: 3-[1-[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]ethyl]benzonitrile CAS Name: 3-[1-[[6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinyl]amino]ethyl]benzonitrile IUPAC Name: 3-[1-[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)amino]ethyl]benzonitrile Traditional Name: 3-[1-[(6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)amino]ethyl]benzonitrile Formula: C23H26ClN9 MolecularWeight: 463.96584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C#N)NC2=NC3=C(C(=NC(=N3)N4CCNCC4)N5CCCC5)N=C2Cl

Isomeric SMILES

CC(C1=CC=CC(=C1)C#N)NC2=NC3=C(C(=NC(=N3)N4CCNCC4)N5CCCC5)N=C2Cl

InChI

InChI=1S/C23H26ClN9/c1-15(17-6-4-5-16(13-17)14-25)27-21-19(24)28-18-20(29-21)30-23(33-11-7-26-8-12-33)31-22(18)32-9-2-3-10-32/h4-6,13,15,26H,2-3,7-12H2,1H3,(H,27,29,30,31)