4-[[6-methyl-2-(methylamino)-8-propyl-purin-9-yl]methyl]-3-pyridin-4-yl-benzenecarbonitrile

Systemtic Name: 4-[[6-methyl-2-(methylamino)-8-propyl-purin-9-yl]methyl]-3-pyridin-4-yl-benzenecarbonitrile Openeye Name: 4-[[6-methyl-2-(methylamino)-8-propyl-purin-9-yl]methyl]-3-(4-pyridyl)benzonitrile CAS Name: 4-[[6-methyl-2-(methylamino)-8-propyl-9-purinyl]methyl]-3-pyridin-4-ylbenzonitrile IUPAC Name: 4-[[6-methyl-2-(methylamino)-8-propylpurin-9-yl]methyl]-3-pyridin-4-ylbenzonitrile Traditional Name: 4-[[6-methyl-2-(methylamino)-8-propyl-purin-9-yl]methyl]-3-(4-pyridyl)benzonitrile Formula: C23H23N7 MolecularWeight: 397.47562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N=C(N=C2N1CC3=C(C=C(C=C3)C#N)C4=CC=NC=C4)NC)C

Isomeric SMILES

CCCC1=NC2=C(N=C(N=C2N1CC3=C(C=C(C=C3)C#N)C4=CC=NC=C4)NC)C

InChI

InChI=1S/C23H23N7/c1-4-5-20-28-21-15(2)27-23(25-3)29-22(21)30(20)14-18-7-6-16(13-24)12-19(18)17-8-10-26-11-9-17/h6-12H,4-5,14H2,1-3H3,(H,25,27,29)